data_1isk_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 1isk _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 76' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.0 p -100.01 155.07 36.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 1.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -27.42 10.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 9.8 pt-20 -68.52 -46.08 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 110.356 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -70.27 -48.99 54.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 77' ' ' GLU . 65.3 mtm -60.4 -60.29 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 36.7 m -54.19 -42.73 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 1.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -57.62 -41.07 80.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -62.46 -46.72 95.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 80' ' ' PHE . 3.4 t -57.85 -40.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.8 -58.82 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 1.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -53.01 -34.66 57.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' OH ' ' CE2' ' A' ' 55' ' ' TYR . 34.9 t80 -67.26 -47.03 71.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.14 -50.14 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 1.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.73 29.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -40.1 57.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 12.0 tp -58.23 -55.23 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -60.79 -21.9 63.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.21 36.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.32 19.31 66.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.13 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -77.79 94.16 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 1.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -50.83 14.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.73 -55.71 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -57.31 20.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.591 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 48.3 mt -46.24 -39.14 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.433 0.725 . . . . 1.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.4 t -65.86 -44.25 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 1.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -16.86 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.03 85.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 1.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.2 p90 -116.5 -176.09 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' CB ' HG21 ' A' ' 110' ' ' VAL . . . -50.18 178.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.466 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 2.1 p-10 -105.01 -17.85 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -117.91 25.43 10.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -74.7 170.06 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.402 ' O ' ' SD ' ' A' ' 112' ' ' MET . 41.6 p -125.46 125.88 44.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 110.405 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.476 ' CG2' HG12 ' A' ' 51' ' ' ILE . 24.0 t -107.85 148.01 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' N ' HG11 ' A' ' 36' ' ' VAL . 4.1 mt-10 -136.76 102.57 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.603 ' O ' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -143.0 121.83 7.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.55 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.98 -84.3 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.978 -2.509 . . . . 1.0 110.999 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.443 HG13 ' CB ' ' B' ' 75' ' ' ALA . 0.6 OUTLIER -142.9 145.12 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.53 25.56 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.472 ' CB ' ' HD2' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -112.61 49.88 0.9 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.533 0.784 . . . . 1.0 110.005 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 59.33 95.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 143.9 29.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 1.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.581 ' CD ' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -101.73 160.1 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.384 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p -147.9 136.31 21.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 110.03 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . 96.17 134.39 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 1.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 32' ' ' ASP . 8.6 p -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 1.0 110.414 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -66.83 -55.33 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 109.368 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB3' ' CG ' ' A' ' 45' ' ' ARG . . . -67.62 -54.48 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.511 HG22 ' CE1' ' A' ' 30' ' ' PHE . 98.8 mt -44.84 -45.4 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 1.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -68.42 -41.18 80.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.22 -48.38 73.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 38' ' ' ASP . 0.1 OUTLIER -69.09 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.57 ' CE2' HG23 ' A' ' 26' ' ' ILE . 5.8 m-85 -42.91 -30.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.47 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 1.0 109.219 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -54.3 -20.33 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 1.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -59.42 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.416 ' C ' ' N ' ' A' ' 61' ' ' LEU . 1.3 mt -56.51 -19.01 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -45.19 -26.63 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 59' ' ' LEU . 12.2 tp -99.57 133.51 21.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.07 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -131.38 167.42 19.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.09 113.01 10.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 1.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.523 HG12 ' CD1' ' A' ' 82' ' ' PHE . 13.5 t -86.35 149.06 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' OG1' ' A' ' 83' ' ' THR . 8.2 pt-20 -157.59 143.08 17.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 1.0 110.247 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.32 139.22 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.425 HG21 ' NE2' ' A' ' 69' ' ' GLN . 3.5 t -141.16 14.15 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -148.16 -88.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 110.29 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' OE2' ' CD ' ' B' ' 119' ' ' LYS . 0.0 OUTLIER 173.46 -174.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.362 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.534 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 73.9 t -115.43 148.19 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -112.99 79.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -88.64 133.04 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' HG22 ' B' ' 40' ' ' VAL . 1.5 t -148.62 -147.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 1.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -50.46 100.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 2' ' ' ASN . 1.5 t-20 37.54 34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 75' ' ' ALA . 13.7 mt-10 -127.77 154.24 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.382 1.052 . . . . 1.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -153.08 88.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 72' ' ' ARG . . . -108.22 100.55 9.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.673 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 53.3 p90 -112.38 162.97 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -120.08 129.39 54.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.523 ' CD1' HG12 ' A' ' 65' ' ' VAL . 47.8 p90 -136.11 162.74 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -102.63 156.11 17.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 1.0 110.395 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -130.93 116.95 35.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 1.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.66 120.58 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 1.0 110.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 95' ' ' VAL . 2.5 p90 -153.22 138.54 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 1.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.304 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.602 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 88.3 m -156.15 145.24 20.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 110.412 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -132.48 117.79 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 86' ' ' PHE . 4.9 t -98.04 165.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.461 ' O ' ' ND2' ' A' ' 120' ' ' ASN . . . -143.42 64.67 14.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 96' ' ' ALA . 18.1 Cg_endo -75.07 163.06 35.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 1.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' B' ' 72' ' ' ARG . 5.5 mt -115.86 119.07 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -88.3 123.03 32.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 1.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -114.21 105.78 13.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 109.574 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -111.44 133.28 53.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.479 ' HG3' ' CB ' ' A' ' 111' ' ' SER . 4.7 ptm180 -115.15 117.28 30.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.554 ' CD2' HG21 ' A' ' 109' ' ' VAL . 6.5 m-85 -89.13 147.23 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 104' ' ' ASN . 39.9 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 103' ' ' PHE . 2.2 t -74.52 120.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 1.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.455 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 77.7 t -117.76 -5.82 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -142.06 131.96 24.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.039 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -143.0 117.35 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 110.957 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.5 ttm105 -132.97 130.76 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.206 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.85 172.32 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.446 HD23 ' CB ' ' B' ' 79' ' ' ALA . 0.4 OUTLIER -144.56 104.74 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -123.55 129.58 51.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.049 . . . . 1.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -104.97 175.08 21.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -37.02 64.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 1.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.455 ' NZ ' ' HG1' ' B' ' 8' ' ' THR . 0.0 OUTLIER -87.65 12.5 12.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.468 ' CG ' ' NH1' ' B' ' 72' ' ' ARG . 12.2 t-20 -97.79 10.2 40.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.602 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 4.4 mt -124.76 146.64 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -133.37 102.4 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 109.653 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.68 168.36 18.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.5 -178.66 40.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 1.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.577 0.81 . . . . 1.0 109.262 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.406 0.146 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 p30 167.25 124.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 1.0 109.259 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.92 154.7 40.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 1.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.59 14.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 1.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -55.93 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.359 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -68.05 -42.41 80.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 1.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.585 ' HG2' ' CZ ' ' B' ' 103' ' ' PHE . 12.2 mtm -57.95 -51.61 68.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 1.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.455 ' HG1' ' NZ ' ' A' ' 119' ' ' LYS . 78.5 m -58.58 -49.98 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 1.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.14 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 t -59.17 -46.48 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.616 1.198 . . . . 1.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' B' ' 80' ' ' PHE . 7.4 t -54.2 -42.12 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.77 -48.57 81.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -42.63 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 80.6 t80 -60.69 -50.86 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.22 -52.8 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.68 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 1.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.458 ' CB ' HG12 ' B' ' 26' ' ' ILE . . . -62.97 -28.28 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -72.59 -56.68 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 1.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -53.95 -49.27 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.23 -26.63 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 68.7 50.87 33.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 1.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' B' ' 17' ' ' ALA . 1.4 p-10 -109.46 97.05 6.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 5.7 mt -64.78 -45.46 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -45.05 73.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.97 -65.44 2.7 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 1.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' B' ' 30' ' ' PHE . 60.2 mt -43.55 -37.67 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 37.4 t -68.38 -44.39 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -68.84 -12.81 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 1.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.6 tt -72.4 -66.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 1.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' B' ' 26' ' ' ILE . 49.4 p90 -87.01 174.51 8.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' B' ' 30' ' ' PHE . . . -47.07 172.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.478 ' O ' ' CG2' ' B' ' 48' ' ' THR . 0.4 OUTLIER -100.14 -13.22 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -121.42 17.45 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -61.98 179.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 48.9 p -133.29 124.35 27.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 1.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.478 ' CG2' HG12 ' B' ' 51' ' ' ILE . 65.1 t -97.73 138.28 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 35.6 tt0 -139.63 67.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 1.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' B' ' 54' ' ' PHE . 0.0 OUTLIER -140.09 141.8 28.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 1.0 109.349 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.532 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.0 Cg_endo -75.05 -66.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.015 -2.494 . . . . 1.0 110.947 0.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -157.46 -175.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 1.0 109.24 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.88 2.7 8.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 1.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.05 72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 0.736 . . . . 1.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -168.98 64.0 0.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.455 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.0 144.17 29.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 1.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' B' ' 50' ' ' ALA . 10.0 mtt180 -117.37 141.73 47.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.6 p -116.23 148.49 40.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 1.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.4 148.04 23.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 1.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 30.2 p -64.66 -17.24 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 1.0 110.358 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.485 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.58 -61.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.463 ' HB3' ' CG ' ' B' ' 45' ' ' ARG . . . -67.12 -37.2 83.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 28.0 mt -62.62 -65.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' B' ' 48' ' ' THR . 0.0 OUTLIER -53.8 -44.19 69.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 6.4 mm-40 -50.9 -49.14 60.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 1.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' B' ' 38' ' ' ASP . 15.5 t80 -68.81 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.461 ' HB3' ' CD2' ' B' ' 23' ' ' LEU . 0.9 OUTLIER -42.45 -28.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 110.999 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.94 -56.3 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 10.2 t-20 -55.24 -23.1 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 23.4 t -81.17 -58.87 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.434 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.9 OUTLIER -56.49 -18.77 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -45.17 -26.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' B' ' 59' ' ' LEU . 10.9 tp -90.19 132.37 36.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 75.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.396 1.735 . . . . 1.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.21 170.27 8.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.11 105.92 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' B' ' 82' ' ' PHE . 4.2 t -82.76 142.37 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 1.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.403 ' N ' HG11 ' B' ' 65' ' ' VAL . 8.2 pt-20 -161.14 141.2 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.14 152.73 43.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.473 HG23 ' CG2' ' B' ' 83' ' ' THR . 1.5 t -154.76 22.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 110.34 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.445 ' CD ' ' HB2' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -147.99 -86.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.366 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.425 ' HB3' ' NH2' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -179.22 -177.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.547 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 70.4 t -123.66 139.1 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -110.84 83.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 1.0 110.331 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -83.63 101.9 11.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 2.5 t -152.56 158.85 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.25 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.449 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 55.06 55.16 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 1.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 75' ' ' ALA . 20.7 p30 38.95 30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' B' ' 74' ' ' VAL . 6.0 pt-20 -145.54 140.56 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -98.63 124.53 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.446 ' CB ' HD23 ' A' ' 115' ' ' LEU . . . -128.07 88.79 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' B' ' 99' ' ' ASP . 38.6 p90 -110.78 172.7 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.481 ' HB3' ' CG1' ' B' ' 98' ' ' ILE . . . -124.65 132.01 53.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' B' ' 65' ' ' VAL . 38.6 p90 -136.88 169.96 16.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 1.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -113.8 165.38 12.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 1.0 110.399 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -137.61 114.79 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 1.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.67 126.97 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.932 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' B' ' 93' ' ' THR . 3.2 p90 -158.47 136.55 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 1.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.253 -0.277 . . . . 1.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -133.15 143.12 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 26.0 m -155.73 143.16 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.351 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 1.4 p -135.93 120.05 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' B' ' 86' ' ' PHE . 20.5 t -97.57 162.69 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -138.82 68.87 43.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.521 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 1.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.481 ' CG1' ' HB3' ' B' ' 81' ' ' ALA . 1.3 mt -113.33 124.35 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 0.3 OUTLIER -96.09 118.57 32.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' B' ' 100' ' ' HIS . 0.2 OUTLIER -135.05 115.21 13.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.489 ' HB3' ' CB ' ' B' ' 112' ' ' MET . 4.3 p90 -146.63 158.38 43.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -107.04 151.67 25.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 110.216 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.585 ' CZ ' ' HG2' ' B' ' 7' ' ' MET . 3.2 p90 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' B' ' 108' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.3 -0.629 . . . . 1.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.476 HG21 ' CB ' ' B' ' 103' ' ' PHE . 1.8 t -90.82 124.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.476 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 59.7 t -118.82 -8.45 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -149.37 133.73 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 110.074 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.489 ' CB ' ' HB3' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -147.74 146.73 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 111.031 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' B' ' 114' ' ' ALA . 0.6 OUTLIER -152.82 140.01 19.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 1.0 110.226 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.502 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -109.04 168.33 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.54 107.9 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 1.0 109.235 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' B' ' 117' ' ' GLY . 0.1 OUTLIER -124.05 -175.45 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 111.014 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' B' ' 116' ' ' PHE . . . -178.49 179.61 48.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' B' ' 119' ' ' LYS . 16.9 pt-20 -67.94 -42.98 80.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 1.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 1.4 mttp -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 1.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.484 ' OD1' ' CZ ' ' A' ' 72' ' ' ARG . 37.4 m-80 -73.23 -15.2 61.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.437 ' C ' ' CD2' ' B' ' 122' ' ' HIS . 7.2 mt -95.69 134.72 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 1.0 109.249 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' B' ' 122' ' ' HIS . 0.0 OUTLIER -127.88 94.62 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 1.0 109.571 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.38 172.66 5.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 162.65 179.15 37.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.986 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.29 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.437 ' CG2' ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -157.6 154.82 26.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 1.0 110.422 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.93 3.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.459 1.768 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.1 -43.09 96.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 1.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 1.6 t60 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -52.19 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 1.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -66.92 -50.43 62.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 110.401 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.32 -50.23 40.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' ARG . 7.9 t -56.67 -59.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.555 HG12 ' CD1' ' A' ' 80' ' ' PHE . 2.1 t -42.17 -38.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -45.5 77.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -61.33 -43.12 99.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 110.288 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' OH ' ' CZ ' ' A' ' 55' ' ' TYR . 17.7 t80 -59.64 -59.53 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 1.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 8.7 t -48.46 -49.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.58 -51.12 58.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.391 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -37.11 76.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 4.4 tp -60.73 -51.39 69.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.68 -31.14 70.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.49 -10.75 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 66.44 49.68 54.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.546 1.154 . . . . 1.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 4.2 m-20 -92.73 93.67 8.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -69.14 -66.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.51 -34.76 76.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 1.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.51 3.6 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.467 1.104 . . . . 1.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.597 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 38.3 mt -52.33 -35.63 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 69.2 t -70.73 -30.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.6 -17.68 47.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.78 -68.2 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.369 1.043 . . . . 1.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 40.5 p90 -85.01 -175.52 5.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.87 173.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 1.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.46 ' O ' ' CG2' ' A' ' 48' ' ' THR . 0.6 OUTLIER -104.63 -14.47 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -119.52 14.35 12.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 1.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' CB ' ' HE3' ' A' ' 112' ' ' MET . . . -57.44 179.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -129.7 122.41 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 1.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.475 HG22 ' CG2' ' A' ' 51' ' ' ILE . 21.8 t -103.92 137.87 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -133.73 111.67 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.587 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.08 143.45 9.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 1.0 109.28 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.587 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.94 -70.62 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.036 -2.485 . . . . 1.0 111.012 -0.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.484 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -157.35 154.14 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.603 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 139.62 -50.41 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 3.2 p 149.69 -177.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 1.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.36 79.21 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.77 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -142.12 101.66 3.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 1.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -97.69 140.98 31.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.991 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.95 148.59 23.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 2.3 p -63.18 -17.4 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 1.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.88 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.31 97.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CG2' HG22 ' A' ' 36' ' ' VAL . 96.8 mt -58.45 -59.38 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 1.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.7 OUTLIER -49.46 -47.16 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 1.2 tp10 -64.76 -27.45 68.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 1.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.78 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.948 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.469 ' CZ ' ' OH ' ' A' ' 14' ' ' TYR . 25.7 m-85 -60.3 -29.01 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -68.02 -70.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 1.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.501 ' ND2' ' N ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -46.45 -42.41 15.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.501 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 17.6 t -61.96 -49.73 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 1.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.513 ' CD1' ' CD2' ' A' ' 23' ' ' LEU . 1.3 mt -58.63 -23.77 59.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 10.8 ttmt -43.38 -26.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.393 1.058 . . . . 1.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.492 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 9.4 tp -92.86 140.46 23.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.96 54.32 3.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.611 1.848 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.526 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -98.22 131.99 44.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 1.0 109.376 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' N ' HD21 ' A' ' 63' ' ' LEU . . . -107.21 103.43 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 63' ' ' LEU . 2.1 t -95.1 144.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 3.4 tt0 -158.3 137.99 12.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 1.0 110.384 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 11' ' ' VAL . 6.2 tt -61.14 157.99 14.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 81' ' ' ALA . 1.2 p -136.98 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.566 ' NE2' ' N ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -179.98 -160.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 1.0 110.337 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.59 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 20.8 mm-40 55.51 60.96 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 1.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 80' ' ' PHE . 53.8 t -111.9 84.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -87.27 104.37 16.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -102.18 128.79 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.541 ' CG1' ' N ' ' A' ' 75' ' ' ALA . 5.9 p -157.07 -139.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.625 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -31.48 95.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 1.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.625 ' C ' ' O ' ' A' ' 75' ' ' ALA . 8.8 m-80 20.93 58.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 75' ' ' ALA . 27.3 tt0 -162.1 158.61 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -157.28 108.61 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -99.46 106.09 18.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 54.5 p90 -107.59 125.82 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -86.66 106.81 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 1.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.0 p90 -107.97 -172.61 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -123.56 162.07 23.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 1.0 110.405 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -139.96 114.69 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 1.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.11 116.04 28.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 1.0 110.064 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -154.56 146.98 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 1.0 110.3 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.41 ' C ' ' OG1' ' A' ' 93' ' ' THR . 7.3 mttm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.55 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 4.9 m -155.83 146.18 21.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.407 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -129.78 118.83 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 1.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.548 ' CG2' HG12 ' A' ' 121' ' ' ILE . 47.5 t -100.39 166.23 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 1.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -136.41 69.81 61.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 1.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.02 162.56 36.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 1.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.491 ' CG2' ' NH2' ' B' ' 72' ' ' ARG . 10.3 mt -114.47 119.81 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.39 125.11 41.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -106.15 106.04 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CD2' HG23 ' A' ' 11' ' ' VAL . 12.3 m-30 -94.62 136.63 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 1.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 10.4 mtp180 -111.03 144.59 39.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -125.08 170.08 11.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 108' ' ' LYS . 2.9 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.438 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 1.4 pttt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 102' ' ' ARG . 5.5 t -94.03 117.65 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.91 -5.71 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' A' ' 102' ' ' ARG . 2.2 m -141.41 141.61 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.464 ' HE3' ' CB ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -158.6 132.89 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 1.0 111.064 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.02 160.04 39.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 1.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.22 153.76 46.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -136.07 113.82 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 97' ' ' PRO . 6.8 m-85 -106.64 -175.67 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 1.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -176.08 176.24 47.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 1.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.94 -35.82 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 1.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -67.7 -10.01 48.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 1.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -107.58 29.97 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.55 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 3.3 mt -118.46 148.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -141.08 98.87 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.25 175.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.66 176.64 35.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 1.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 1.0 109.301 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.445 ' C ' ' ND2' ' B' ' 2' ' ' ASN . 49.8 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.49 0.186 . . . . 1.0 111.013 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' B' ' 1' ' ' MET . 5.1 p30 41.0 76.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 1.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -126.9 155.48 75.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -30.71 6.95 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 1.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -68.7 -46.49 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -68.05 -46.51 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.662 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.2 mtm -61.97 -61.84 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -52.49 -39.53 61.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 1.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -60.07 -44.37 94.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.52 -34.87 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.539 ' CG1' ' CD1' ' B' ' 80' ' ' PHE . 5.9 t -64.91 -44.99 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -67.05 -39.91 87.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 1.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -35.86 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 1.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.406 ' CE1' ' HZ ' ' B' ' 101' ' ' PHE . 27.5 t80 -67.37 -44.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 1.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.435 HG12 ' N ' ' B' ' 67' ' ' LEU . 24.0 t -62.84 -54.49 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.49 84.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.402 ' CB ' HG12 ' B' ' 26' ' ' ILE . . . -62.59 -41.49 99.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 1.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.464 HD21 ' CG1' ' B' ' 65' ' ' VAL . 6.8 tp -60.84 -57.54 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.74 -22.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 1.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.05 -20.69 55.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 79.24 20.45 69.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.481 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 4.8 m-20 -73.12 97.33 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.442 HD12 ' CG ' ' B' ' 52' ' ' ARG . 0.1 OUTLIER -70.94 -72.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.79 -34.38 75.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.47 -57.82 17.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.44 1.088 . . . . 1.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' B' ' 22' ' ' ASP . 66.0 mt -56.41 -44.9 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 1.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.576 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.3 t -61.79 -27.21 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.77 -21.75 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.54 -58.09 9.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 1.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 35.1 p90 -96.48 -177.81 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.1 167.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.441 ' O ' ' CG2' ' B' ' 48' ' ' THR . 0.5 OUTLIER -98.35 -13.97 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.86 11.31 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -58.93 179.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 49.7 p -135.82 140.18 44.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 1.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' B' ' 51' ' ' ILE . 11.5 t -114.77 138.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -140.62 94.98 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 110.318 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.667 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -148.15 143.52 17.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 1.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.667 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -74.92 -77.33 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.004 -2.498 . . . . 1.0 111.03 -0.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -157.29 154.33 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.581 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 136.09 -47.02 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 153.15 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 1.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.407 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 1.6 mt-10 67.15 63.77 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.0 Cg_endo -74.98 -169.23 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 1.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.445 ' HD3' ' CB ' ' B' ' 50' ' ' ALA . 6.3 mtt-85 -142.1 142.18 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.0 p -138.89 140.33 38.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 109.987 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.45 150.01 23.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 1.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' B' ' 52' ' ' ARG . 1.7 p -63.15 -12.32 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.743 . . . . 1.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.32 -64.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.445 ' CB ' ' HD3' ' B' ' 45' ' ' ARG . . . -70.3 -37.19 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.416 ' CD1' HG21 ' B' ' 36' ' ' VAL . 4.9 mt -60.33 -62.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' B' ' 48' ' ' THR . 1.3 ttp180 -56.34 -35.98 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 7.8 mm-40 -63.82 -43.02 97.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 1.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.2 OUTLIER -65.83 -58.19 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 1.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.504 ' O ' ' CD1' ' B' ' 59' ' ' LEU . 12.3 m-85 -60.65 -23.91 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -76.44 -71.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' B' ' 58' ' ' SER . 29.4 p30 -53.15 -21.03 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 58.4 m -83.79 -48.89 9.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 1.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 3.2 mt -58.55 -24.16 60.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 1.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -43.13 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.48 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.1 tp -91.74 140.27 25.03 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.6 Cg_endo -74.89 55.52 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 1.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' B' ' 86' ' ' PHE . 15.7 mt -54.48 167.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' B' ' 85' ' ' SER . . . -135.51 61.95 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 1.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' B' ' 18' ' ' LEU . 86.0 t -77.47 137.77 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -156.79 137.73 13.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.435 ' N ' HG12 ' B' ' 15' ' ' VAL . 14.8 tp -67.22 143.42 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 11.0 p -125.89 -54.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 1.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.452 ' NE2' ' N ' ' B' ' 69' ' ' GLN . 0.0 OUTLIER -178.83 -163.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 10.1 mm-40 57.76 116.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' B' ' 70' ' ' GLU . 42.2 t -157.1 68.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.491 ' NH2' ' CG2' ' A' ' 98' ' ' ILE . 4.8 ptt180 -72.35 102.19 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -101.3 124.92 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.428 ' CG1' HG22 ' A' ' 40' ' ' VAL . 1.6 p -175.77 159.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.37 49.49 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 109.347 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 49.49 38.6 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.408 ' HB3' ' NE2' ' B' ' 100' ' ' HIS . 17.8 mt-10 -141.48 169.76 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 1.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -156.03 110.74 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.458 ' O ' ' CG ' ' B' ' 72' ' ' ARG . . . -109.27 103.92 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 34.0 p90 -109.65 157.14 19.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.426 ' O ' ' NE2' ' B' ' 69' ' ' GLN . . . -111.53 115.74 29.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' OD2' ' B' ' 99' ' ' ASP . 32.1 p90 -124.54 171.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 1.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -103.86 158.96 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.415 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.6 ' CG1' ' CD ' ' B' ' 97' ' ' PRO . 0.3 OUTLIER -148.68 101.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' B' ' 64' ' ' ALA . 0.9 OUTLIER -86.04 151.21 23.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 1.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 4.5 p90 -164.11 142.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 1.0 110.997 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.374 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.52 114.52 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.571 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 97.1 m -126.98 154.03 45.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.3 OUTLIER -128.27 121.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' B' ' 83' ' ' THR . 4.2 t -100.32 164.38 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.439 ' N ' ' HD3' ' B' ' 97' ' ' PRO . . . -142.79 63.5 13.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.6 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 167.23 27.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 1.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.499 ' CD1' ' OE1' ' A' ' 70' ' ' GLU . 27.6 mt -115.87 115.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.65 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -88.67 139.63 30.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' B' ' 77' ' ' GLU . 32.7 t-80 -130.21 125.29 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 1.0 109.635 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.439 ' CE1' ' SD ' ' B' ' 112' ' ' MET . 17.6 m-30 -118.96 148.0 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 1.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . 0.404 ' CB ' ' HG2' ' B' ' 77' ' ' GLU . 2.6 ttp180 -130.1 123.06 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' B' ' 108' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.566 ' HD3' ' CZ ' ' B' ' 103' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' B' ' 103' ' ' PHE . 91.9 t -52.2 116.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 72.4 t -113.74 -13.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.37 119.32 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.439 ' SD ' ' CE1' ' B' ' 101' ' ' PHE . 2.4 ttp -129.44 127.2 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 1.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -145.69 138.25 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 1.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' B' ' 38' ' ' ASP . . . -105.35 160.51 15.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.72 97.81 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 6.1 m-85 -98.67 -173.15 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.473 ' CA ' ' OD1' ' B' ' 120' ' ' ASN . . . -167.01 -172.56 34.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 1.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -113.9 4.16 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 1.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 3.63 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.473 ' OD1' ' CA ' ' B' ' 117' ' ' GLY . 7.3 p-10 -110.6 27.96 9.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.512 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.3 mp -126.48 140.66 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -129.64 103.44 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.655 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.98 147.3 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.93 177.5 46.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 109.294 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.414 ' O ' ' SD ' ' A' ' 7' ' ' MET . 14.2 p -125.48 155.5 71.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.17 9.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 1.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.65 -48.4 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.287 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.98 -41.64 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.615 ' CG ' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -58.18 -55.39 35.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 110.963 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -58.81 -48.75 80.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 1.0 110.378 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.34 75.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.04 -38.54 81.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.579 HG22 ' CE1' ' A' ' 80' ' ' PHE . 4.3 t -63.05 -42.79 97.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.75 -53.76 54.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -59.42 -47.75 84.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 3.1 t80 -55.03 -47.44 74.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.588 HG23 ' CE2' ' A' ' 82' ' ' PHE . 60.9 t -62.95 -66.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 1.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' VAL . . . -39.87 -34.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -51.69 18.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 1.6 tp -51.18 -51.84 49.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -43.18 95.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 1.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -11.7 58.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.07 49.95 43.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.549 1.156 . . . . 1.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -112.48 78.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 1.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 7.9 mt -55.57 -57.81 10.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.59 -39.01 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 1.0 109.356 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -67.79 -67.47 1.96 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 1.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.598 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 3.6 mt -43.0 -34.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 38.2 t -72.04 -46.25 59.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 1.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -65.74 -13.14 58.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -70.43 -66.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 1.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 43.4 p90 -87.51 177.48 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 1.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 108' ' ' LYS . . . -46.46 170.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' CG2' ' A' ' 48' ' ' THR . 0.9 OUTLIER -100.92 -14.72 17.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -119.22 17.47 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -61.62 174.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.239 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 p -128.92 133.32 47.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' ' 51' ' ' ILE . 43.3 t -103.96 148.32 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -153.49 90.02 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.577 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 2.7 p-10 -150.73 148.01 22.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.577 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.6 Cg_endo -74.97 -70.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.98 -2.508 . . . . 1.0 110.998 -0.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.504 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.38 160.26 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 124.02 -41.21 1.78 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.8 m 150.52 -175.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 1.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.89 66.86 0.31 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 1.0 110.339 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.02 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.429 1.752 . . . . 1.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 44' ' ' PRO . 4.5 mmp_? -152.44 148.51 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 1.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 p -146.93 137.34 23.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 1.0 109.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 121.06 4.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.593 1.183 . . . . 1.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -46.98 -24.34 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 1.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.04 81.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.49 ' CG2' ' CE2' ' A' ' 55' ' ' TYR . 83.8 mt -52.73 -54.51 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 1.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -44.98 84.05 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 1.0 110.324 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.22 -47.4 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -63.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 1.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 51' ' ' ILE . 3.9 m-85 -43.88 -30.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.47 -53.44 10.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -54.83 -23.75 19.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -50.83 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -15.77 59.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -57.56 -20.37 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 11.5 tp -94.51 137.18 22.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.02 62.62 5.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 1.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -109.14 166.09 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.49 116.31 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.94 137.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 1.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 83' ' ' THR . 19.8 tt0 -163.26 149.53 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.754 ' CD1' ' CZ ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -77.96 170.85 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 1.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.2 OUTLIER -169.66 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.0 110.372 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -77.81 -90.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -176.66 -178.38 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 1.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.536 HG12 ' CD1' ' A' ' 80' ' ' PHE . 21.7 t -129.92 125.98 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 72' ' ' ARG . 4.7 mmp_? -107.52 94.6 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 1.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.499 ' O ' ' CG2' ' A' ' 74' ' ' VAL . . . -89.64 118.5 29.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 73' ' ' ALA . 1.4 t -173.85 158.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . 58.52 47.18 13.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 75' ' ' ALA . 10.2 p30 45.64 28.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.077 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 14.2 pt-20 -144.13 133.65 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 1.0 110.319 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -102.79 113.29 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB3' ' CG ' ' A' ' 100' ' ' HIS . . . -111.67 103.16 11.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.635 ' CE2' ' CB ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -117.13 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.35 109.96 15.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.754 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 15.1 m-85 -106.36 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -123.68 141.48 51.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 1.2 m -119.85 114.93 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.4 t -95.1 125.4 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 1.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -166.21 152.19 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 1.0 110.302 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 92' ' ' LYS . 1.7 mtpm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 92.6 m -157.67 153.25 26.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 1.4 p -135.03 111.1 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.529 1.143 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.31 167.6 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -143.24 70.06 18.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . 18.5 Cg_endo -74.98 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.766 . . . . 1.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.417 HD13 ' NH2' ' B' ' 72' ' ' ARG . 3.2 mt -115.34 122.15 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.635 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 1.0 OUTLIER -95.45 120.13 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.539 ' CE1' HD23 ' B' ' 115' ' ' LEU . 1.6 t-160 -113.88 99.64 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 1.0 109.534 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.419 ' CD2' ' HZ ' ' A' ' 80' ' ' PHE . 10.6 m-30 -86.99 141.02 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -114.63 102.42 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 1.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 7' ' ' MET . 47.3 m-85 -79.86 117.81 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.326 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 103' ' ' PHE . 12.7 t -52.63 116.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.23 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.439 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 54.5 t -113.33 0.69 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -160.99 108.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.444 ' HE2' ' CD1' ' A' ' 30' ' ' PHE . 3.3 ptp -118.97 129.78 55.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 1.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.22 171.82 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -134.8 158.74 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 1.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.52 112.87 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 39' ' ' PRO . 6.1 m-85 -105.53 -175.27 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 1.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.415 ' H ' ' ND2' ' A' ' 120' ' ' ASN . . . -157.46 -173.62 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 1.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -25.8 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 1.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.437 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 0.1 OUTLIER -100.9 7.41 43.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.415 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 29.6 p-10 -97.99 23.78 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 2.7 mt -129.76 137.11 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -124.49 103.13 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 1.0 109.684 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.85 172.98 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.245 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 160.0 -177.59 36.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 1.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.74 . . . . 1.0 109.361 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.448 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.502 0.191 . . . . 1.0 110.978 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 1' ' ' MET . 0.5 OUTLIER 40.36 57.34 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.469 ' O ' ' SD ' ' B' ' 7' ' ' MET . 0.7 OUTLIER -46.15 155.14 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.0 110.44 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -41.3 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 1.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 2.4 mt-10 -63.64 -28.5 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -77.24 -66.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.572 ' HA ' ' CZ ' ' B' ' 103' ' ' PHE . 1.2 ptt? -52.34 -40.08 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 1.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.515 ' OG1' ' CB ' ' B' ' 73' ' ' ALA . 90.2 m -70.1 -43.75 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 1.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -58.9 -35.16 72.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.04 -49.56 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' B' ' 80' ' ' PHE . 2.6 t -52.85 -38.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.45 -54.9 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -28.45 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.471 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 0.8 OUTLIER -69.86 -50.03 46.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 111.05 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' B' ' 14' ' ' TYR . 3.2 t -57.65 -46.74 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 1.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.41 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.83 59.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 1.0 109.27 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.54 -52.81 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 65' ' ' VAL . 5.7 t-20 -59.58 -28.8 67.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.95 -26.68 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 1.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 87.73 20.22 51.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 1.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 8.5 t0 -72.96 74.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 1.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.482 ' O ' ' CG2' ' B' ' 27' ' ' VAL . 0.2 OUTLIER -55.77 -35.39 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -72.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.88 -27.68 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 1.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.595 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 50.7 mt -77.13 -51.81 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 1.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.563 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 88.8 t -62.82 -13.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 1.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.37 -28.57 12.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -49.69 -40.81 41.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 3.6 p90 -114.43 -178.85 3.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.76 169.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.0 109.271 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.434 ' HA ' ' CG2' ' B' ' 48' ' ' THR . 0.2 OUTLIER -98.86 -15.84 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -117.87 12.74 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.447 ' HB2' ' CE ' ' B' ' 112' ' ' MET . . . -52.11 152.52 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -108.71 109.66 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 1.0 110.453 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' B' ' 54' ' ' PHE . 92.3 t -90.07 149.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.9 OUTLIER -137.19 75.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -147.32 128.64 7.23 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 1.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.433 ' HB2' ' H ' ' B' ' 40' ' ' VAL . 18.0 Cg_endo -75.1 -143.55 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.944 0.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -115.24 158.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 1.0 109.386 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 125.18 -38.74 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 1.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.73 171.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.436 0.727 . . . . 1.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.27 80.64 0.21 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.266 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -168.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.583 1.833 . . . . 1.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -153.08 85.41 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 84.7 p -105.45 145.3 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 94.04 131.32 6.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.576 1.172 . . . . 1.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' B' ' 32' ' ' ASP . 12.1 p -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 1.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -65.2 -65.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.34 -55.07 35.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.532 HG21 ' CE2' ' B' ' 55' ' ' TYR . 54.7 mt -44.72 -43.25 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -65.92 -45.89 80.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 1.0 110.212 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.31 -33.56 71.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.0 110.343 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' B' ' 38' ' ' ASP . 1.6 t80 -72.76 -71.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 1.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' B' ' 51' ' ' ILE . 18.5 m-85 -48.9 -43.43 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -62.28 -63.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 22.5 t-20 -49.48 -24.39 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -75.23 -58.14 3.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.105 . . . . 1.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.2 OUTLIER -57.04 -19.64 19.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 1.0 109.362 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -47.0 -25.3 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 1.0 109.302 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 11.1 tp -88.22 139.56 30.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 65.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 1.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -117.4 -177.25 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 1.0 109.251 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.96 100.86 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' B' ' 82' ' ' PHE . 24.2 t -84.27 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 1.0 109.369 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -166.35 146.23 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.435 ' O ' ' CB ' ' B' ' 68' ' ' THR . 3.1 mt -76.3 176.27 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.49 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.0 OUTLIER 170.65 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 1.0 110.431 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.507 ' CD ' ' N ' ' B' ' 70' ' ' GLU . 1.2 tm0? -74.58 -78.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' B' ' 69' ' ' GLN . 0.0 OUTLIER 171.05 177.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.239 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 61.4 t -126.81 146.51 32.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' B' ' 79' ' ' ALA . 6.3 tpp180 -116.22 72.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.515 ' CB ' ' OG1' ' B' ' 8' ' ' THR . . . -78.56 120.5 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -177.76 156.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.471 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . 57.1 52.63 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.415 ' HA ' ' ND2' ' B' ' 2' ' ' ASN . 0.2 OUTLIER 45.17 26.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.312 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' B' ' 7' ' ' MET . 11.3 mt-10 -131.98 166.99 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -137.16 97.5 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' B' ' 72' ' ' ARG . . . -105.57 94.94 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.606 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 36.4 p90 -114.46 170.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' B' ' 69' ' ' GLN . . . -134.9 132.8 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' B' ' 65' ' ' VAL . 42.8 p90 -133.26 174.71 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.49 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.6 OUTLIER -106.2 163.85 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 1.0 110.427 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.463 HG11 ' CD ' ' B' ' 97' ' ' PRO . 0.6 OUTLIER -142.13 125.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.342 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.82 116.35 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 1.0 110.047 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' B' ' 95' ' ' VAL . 1.2 p90 -154.27 143.34 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.324 -0.25 . . . . 1.0 110.324 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.403 ' C ' ' OG1' ' B' ' 93' ' ' THR . 4.7 mttt -80.06 153.36 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.472 HG23 ' CG2' ' B' ' 121' ' ' ILE . 4.0 m -155.28 146.72 22.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -124.4 120.62 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' B' ' 86' ' ' PHE . 61.3 t -99.67 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -137.65 72.65 49.31 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.463 ' CD ' HG11 ' B' ' 84' ' ' VAL . 18.5 Cg_endo -74.99 159.53 41.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 1.2 mt -115.33 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.606 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 2.1 m-20 -101.9 124.28 47.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -117.07 103.46 10.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.627 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -102.09 160.22 14.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -137.19 130.11 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' B' ' 7' ' ' MET . 10.0 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.478 HG21 ' CD2' ' B' ' 103' ' ' PHE . 2.4 t -91.0 118.35 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 73.0 t -134.54 10.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -146.8 131.54 17.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.475 ' O ' ' N ' ' B' ' 37' ' ' GLU . 3.3 mtm -150.26 142.93 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 1.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -148.76 165.95 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 110.355 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.475 ' CB ' ' OD1' ' B' ' 38' ' ' ASP . . . -135.53 168.19 19.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 1.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 100' ' ' HIS . 0.5 OUTLIER -152.39 105.11 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.485 ' O ' ' CG ' ' B' ' 116' ' ' PHE . 7.3 p90 -115.39 127.58 55.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.438 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -109.08 -172.32 20.97 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.437 1.085 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.45 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 1.4 mp0 -110.65 2.69 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 1.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . 0.446 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -108.98 18.21 20.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 72' ' ' ARG . 2.8 p30 -131.59 43.84 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' B' ' 93' ' ' THR . 3.2 mt -133.29 147.24 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -137.7 115.22 11.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 1.0 109.602 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.6 167.59 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.91 173.29 38.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 1.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 1.0 109.248 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.482 ' O ' ' SD ' ' A' ' 7' ' ' MET . 47.9 p -113.28 155.38 44.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.09 -37.45 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 1.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 3.9 tm-20 -67.3 -28.49 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.445 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 2.5 t-160 -77.0 -65.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 3' ' ' THR . 0.9 OUTLIER -51.59 -43.84 62.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 91.2 m -66.55 -45.86 78.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -57.47 -33.81 68.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 1.0 109.313 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.43 -49.11 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.565 HG23 ' CD2' ' A' ' 101' ' ' PHE . 2.4 t -51.52 -42.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -63.94 -49.06 74.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.23 -35.39 73.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.9 t80 -65.31 -49.43 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 1.0 110.992 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.85 -47.3 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.39 46.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.17 -42.49 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.83 -53.71 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 9.1 t-20 -61.04 -22.51 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.21 31.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 1.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.04 9.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 1.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 14.7 t0 -96.44 71.14 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 1.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD2' ' CB ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -55.45 -40.02 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 1.0 109.322 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -72.47 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.88 -27.83 0.4 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.604 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 32.0 mt -78.36 -48.25 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.567 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 68.7 t -68.07 -10.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.2 -26.46 12.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.9 mt -48.82 -37.85 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 1.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.4 p90 -115.81 -175.88 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' CB ' HG23 ' A' ' 110' ' ' VAL . . . -44.88 168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' O ' ' CG2' ' A' ' 48' ' ' THR . 0.2 OUTLIER -91.19 -17.69 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 1.0 109.398 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -125.51 26.85 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 1.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -60.01 166.42 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.9 p -119.64 125.88 49.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 110.424 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.483 HG23 ' CE ' ' A' ' 112' ' ' MET . 3.5 t -104.4 139.53 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.488 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -133.02 55.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 1.9 p-10 -125.11 144.03 46.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.0 Cg_endo -75.02 -67.37 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -156.94 178.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.45 16.35 9.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 p 62.84 -177.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 1.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 68.12 62.81 0.68 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.488 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.02 152.68 40.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 1.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -101.32 166.61 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.0 p -151.7 142.94 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 1.0 109.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.27 127.83 5.68 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.516 1.135 . . . . 1.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 3.3 p -46.53 -25.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . . . -63.04 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.46 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.541 HG21 ' CD2' ' A' ' 55' ' ' TYR . 14.4 mt -54.8 -38.31 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 49' ' ' ALA . 10.9 mtm105 -71.21 -66.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.2 -39.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 1.0 110.253 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE2' ' OD1' ' A' ' 38' ' ' ASP . 1.1 t80 -65.86 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 1.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.541 ' CD2' HG21 ' A' ' 51' ' ' ILE . 7.6 m-85 -56.04 -16.95 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.425 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -77.39 -66.43 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 1.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -60.18 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -75.46 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -57.46 -20.06 28.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 1.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -27.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 1.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 11.1 tp -76.78 139.27 66.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 64.39 6.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 1.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.13 -177.25 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.82 104.03 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 89.2 t -84.13 137.64 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 1.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -155.95 149.63 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 mt -83.63 170.62 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 177.8 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 1.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 1.3 tm0? -69.46 -76.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.5 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER 163.42 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.526 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 71.7 t -133.85 146.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.538 ' CZ ' ' O ' ' B' ' 96' ' ' ALA . 0.0 OUTLIER -121.14 87.88 2.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.479 ' CB ' ' HE1' ' A' ' 7' ' ' MET . . . -86.54 129.47 34.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.549 ' CG1' ' N ' ' A' ' 75' ' ' ALA . 1.6 p -141.4 -150.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.549 ' N ' ' CG1' ' A' ' 74' ' ' VAL . . . -40.68 94.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 1.0 109.233 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' VAL . 1.0 OUTLIER 37.22 31.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 75' ' ' ALA . 1.9 tt0 -123.8 160.13 28.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -148.08 87.43 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.46 101.4 12.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.618 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 49.8 p90 -119.98 179.87 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.454 ' HB3' ' CG1' ' A' ' 98' ' ' ILE . . . -142.9 137.84 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 11.5 p90 -137.03 -179.86 5.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 1.0 111.055 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -115.52 160.24 20.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 1.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.444 HG11 ' CD ' ' A' ' 97' ' ' PRO . 0.6 OUTLIER -134.71 120.95 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.2 m -95.84 117.25 30.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.522 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 1.4 p90 -154.82 151.21 28.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.31 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.522 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 4.4 m -154.24 146.07 23.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 1.0 110.376 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -132.71 119.85 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG2' HG12 ' A' ' 121' ' ' ILE . 48.5 t -102.03 166.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 1.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -138.07 71.65 47.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.444 ' CD ' HG11 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.429 1.752 . . . . 1.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.559 ' CG2' ' NE2' ' A' ' 100' ' ' HIS . 10.9 mt -111.49 157.82 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.618 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.7 m-20 -136.07 144.93 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.559 ' NE2' ' CG2' ' A' ' 98' ' ' ILE . 15.8 m170 -132.02 91.61 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 1.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CD2' HG23 ' A' ' 11' ' ' VAL . 4.6 m-30 -83.94 133.66 34.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 111' ' ' SER . 4.4 ttp180 -116.7 112.93 21.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 1.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.688 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -84.13 114.43 21.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 1.0 111.043 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.688 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t -64.42 121.37 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 109.355 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 84.1 t -132.2 -62.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -80.14 114.8 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.965 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.483 ' CE ' HG23 ' A' ' 36' ' ' VAL . 1.7 ptm -139.99 133.53 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.465 ' HD3' ' CD1' ' A' ' 115' ' ' LEU . 4.4 tmm_? -136.12 146.84 47.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 110.236 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -110.68 172.65 6.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 1.0 109.38 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.553 HD12 ' CE1' ' B' ' 100' ' ' HIS . 0.1 OUTLIER -157.16 102.53 1.96 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 1.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -116.37 129.08 56.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -111.57 -173.83 19.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 1.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 1.2 mm-40 -110.5 23.56 14.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 1.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' B' ' 71' ' ' VAL . 0.0 OUTLIER -116.78 16.62 15.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.4 ' C ' HG13 ' A' ' 121' ' ' ILE . 0.8 OUTLIER -142.65 49.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 95' ' ' VAL . 7.0 mt -135.18 136.57 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.357 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 0.5 OUTLIER -129.1 138.66 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.541 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.82 161.58 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 161.61 176.17 33.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 1.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 1.0 109.314 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.427 0.156 . . . . 1.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.731 HD21 ' N ' ' B' ' 2' ' ' ASN . 0.8 OUTLIER -89.24 62.25 6.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.162 . . . . 1.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.2 p -112.04 161.56 25.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 1.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -29.37 8.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 1.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.42 -43.99 84.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.85 -46.19 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -52.37 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.04 -46.42 90.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 110.444 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.75 69.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.246 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.34 -45.47 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.532 HG23 ' CD1' ' B' ' 80' ' ' PHE . 6.6 t -61.24 -41.29 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -59.57 -51.26 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -59.98 -34.55 73.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -69.25 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 1.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.63 -56.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -53.51 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 1.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.55 -48.04 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.232 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.457 HD21 ' CG1' ' B' ' 65' ' ' VAL . 15.4 tp -53.01 -53.95 42.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -21.6 65.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.05 -12.57 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 1.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.88 27.64 72.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CD1' ' B' ' 26' ' ' ILE . 33.5 m-20 -76.07 97.62 4.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 1.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 1.8 mt -70.2 -59.04 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 1.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.74 -34.33 72.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 1.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.48 -66.84 2.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.59 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 12.9 mt -46.34 -37.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.565 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.4 t -68.22 -39.77 81.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -71.32 -17.0 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -64.29 -59.04 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 25.5 p90 -98.86 -177.76 3.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' B' ' 108' ' ' LYS . . . -48.02 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 1.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' B' ' 48' ' ' THR . 0.4 OUTLIER -104.03 -14.86 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -115.96 16.2 16.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -66.94 165.18 16.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.0 p -118.56 133.7 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 1.0 110.391 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' B' ' 51' ' ' ILE . 25.1 t -107.22 138.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 1.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 2.8 mt-10 -137.78 97.79 3.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.258 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.579 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 2.9 t0 -143.55 122.65 7.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.579 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.0 -87.03 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.992 -2.503 . . . . 1.0 111.006 -0.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.47 ' CG2' HG12 ' A' ' 74' ' ' VAL . 2.0 t -136.38 141.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.383 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.2 27.42 39.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 1.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 16.1 m -111.57 62.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 1.0 109.938 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 41.11 86.67 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.346 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.03 144.73 30.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 1.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' B' ' 50' ' ' ALA . 10.2 mpt_? -87.81 150.16 23.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.4 p -136.05 104.45 5.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.028 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.67 157.9 10.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 1.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 2.5 p -60.34 -26.75 66.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 1.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.44 -68.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.455 ' HB3' ' CG ' ' B' ' 45' ' ' ARG . . . -56.16 -52.01 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 1.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' B' ' 36' ' ' VAL . 5.2 mt -46.36 -46.07 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' B' ' 53' ' ' GLU . 55.0 ttp85 -61.76 -62.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 52' ' ' ARG . 0.0 OUTLIER -45.15 -36.06 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.487 ' CD2' ' N ' ' B' ' 55' ' ' TYR . 9.8 t80 -69.5 -68.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 1.0 110.952 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.487 ' N ' ' CD2' ' B' ' 54' ' ' PHE . 5.4 m-85 -43.98 -27.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.24 -51.33 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.37 -36.13 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -69.93 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -54.45 -19.78 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -40.96 -29.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 1.0 109.242 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' B' ' 87' ' ' GLU . 13.9 tp -99.7 137.49 20.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 1.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 54.65 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.516 1.798 . . . . 1.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.604 HD21 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.97 -177.66 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 106.45 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.457 ' CG1' HD21 ' B' ' 18' ' ' LEU . 37.3 t -87.03 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.404 ' N ' HG11 ' B' ' 65' ' ' VAL . 5.3 pt-20 -162.85 129.13 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 1.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' B' ' 81' ' ' ALA . 5.5 mt -59.89 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.423 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.35 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.551 ' NE2' ' CB ' ' B' ' 81' ' ' ALA . 1.5 mt-30 -85.18 -98.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -174.57 -179.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 84.3 t -119.6 139.29 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 1.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.423 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 6.6 mpt_? -117.53 86.49 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 1.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -84.13 128.36 34.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' B' ' 76' ' ' ASN . 0.9 OUTLIER -141.93 -150.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -45.42 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.2 OUTLIER 35.1 36.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.563 ' OE2' ' CE1' ' B' ' 100' ' ' HIS . 2.7 mt-10 -136.76 106.24 6.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -101.66 97.02 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.21 108.31 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' B' ' 99' ' ' ASP . 8.9 p90 -123.45 153.23 40.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 1.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.551 ' CB ' ' NE2' ' B' ' 69' ' ' GLN . . . -107.91 130.68 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 109.282 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.629 ' CE2' ' CG1' ' B' ' 84' ' ' VAL . 6.7 p90 -135.96 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 1.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.423 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.51 161.24 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 110.412 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.629 ' CG1' ' CE2' ' B' ' 82' ' ' PHE . 4.2 m -149.18 124.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' B' ' 93' ' ' THR . 73.5 m -104.04 116.55 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 1.0 110.036 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.604 ' CE1' HD21 ' B' ' 63' ' ' LEU . 13.4 m-30 -104.48 172.9 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 1.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.475 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 28.6 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 110.233 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.15 141.73 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' B' ' 85' ' ' SER . 2.6 m -136.01 166.64 22.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 1.0 110.448 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 1.8 t -142.9 86.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.469 ' CG2' HG13 ' B' ' 121' ' ' ILE . 54.6 t -87.99 147.24 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.538 ' O ' ' CZ ' ' A' ' 72' ' ' ARG . . . -122.76 72.17 41.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.568 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.2 Cg_endo -74.95 168.46 24.78 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 1.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' B' ' 81' ' ' ALA . 71.6 mt -123.16 115.61 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -86.26 142.0 28.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.563 ' CE1' ' OE2' ' B' ' 77' ' ' GLU . 16.5 t-160 -136.16 101.72 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.639 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' B' ' 101' ' ' PHE . 9.2 m-30 -101.32 129.82 47.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -116.57 123.55 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 1.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.563 ' CD1' HG21 ' B' ' 109' ' ' VAL . 1.2 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.553 ' HA ' ' CD2' ' B' ' 103' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.279 -0.638 . . . . 1.0 109.279 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' B' ' 103' ' ' PHE . 15.8 t -44.76 119.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 1.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.458 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 48.9 t -123.5 0.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 27.6 m -159.51 124.16 3.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 1.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.482 ' HE2' ' CD1' ' B' ' 30' ' ' PHE . 2.3 ptp -129.81 121.73 27.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.45 121.92 46.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -98.76 94.16 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.77 116.36 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.492 ' CG ' ' HB3' ' B' ' 39' ' ' PRO . 2.5 m-85 -101.29 -168.73 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.445 ' N ' ' NH1' ' A' ' 72' ' ' ARG . . . -168.29 -173.85 36.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.462 1.101 . . . . 1.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -135.79 9.69 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 0.814 . . . . 1.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -116.89 -7.66 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.51 ' CB ' ' NH2' ' A' ' 72' ' ' ARG . 1.2 m-80 -118.45 36.65 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' B' ' 95' ' ' VAL . 2.3 mp -122.61 140.3 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -123.49 82.99 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0 109.648 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.8 145.24 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.09 42.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 1.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 1.0 109.379 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.555 ' OG1' ' CG ' ' A' ' 6' ' ' HIS . 1.4 p -111.17 157.43 38.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.02 -37.28 2.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 1.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 1.1 mt-10 -69.14 -27.3 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.555 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 21.7 m170 -77.77 -64.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.572 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 1.6 ptt? -53.08 -39.15 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' A' ' 73' ' ' ALA . 91.5 m -71.17 -45.1 64.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 1.0 110.345 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -56.57 -42.68 79.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.22 -43.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.572 HG12 ' CD1' ' A' ' 80' ' ' PHE . 2.7 t -54.44 -39.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -58.27 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.66 -28.19 45.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 3.2 t80 -72.15 -48.71 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.29 -46.17 81.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.35 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.94 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 13.5 tp -63.44 -58.64 6.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -58.54 -19.94 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.94 -32.81 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 97.07 47.64 2.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.152 . . . . 1.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 8.7 m-20 -103.84 88.74 3.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 0.779 . . . . 1.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -70.91 -61.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -43.12 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.27 -55.91 27.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 1.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.565 HG23 ' CE2' ' A' ' 55' ' ' TYR . 60.1 mt -57.18 -42.93 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 0.802 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 99.2 t -63.3 -26.35 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.76 -22.3 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.227 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -53.03 -45.47 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 5.8 p90 -111.91 -177.94 3.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 1.0 111.0 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.25 168.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -98.22 -13.82 20.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.65 22.48 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -68.43 160.64 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.3 p -110.01 139.0 45.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.546 HG13 ' CE2' ' A' ' 54' ' ' PHE . 2.1 t -122.59 142.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' NH1' ' A' ' 113' ' ' ARG . 10.0 tp10 -131.57 80.7 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 1.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.634 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -131.92 135.99 27.57 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 1.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.95 -77.83 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.048 -2.48 . . . . 1.0 110.972 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -159.42 159.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 136.28 -47.45 0.97 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.3 t 151.69 177.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 1.0 109.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' N ' ' OG ' ' A' ' 42' ' ' SER . 1.2 mt-10 68.49 63.4 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.05 143.55 29.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 1.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.16 178.57 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 1.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.3 p -173.16 155.44 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 89.77 131.37 4.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 1.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 69.4 p -41.25 -28.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 1.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.27 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 1.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.3 -51.44 68.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.543 HG21 ' CD1' ' A' ' 55' ' ' TYR . 8.6 mt -48.15 -48.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -58.16 -48.45 80.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 1.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -36.14 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 1.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE2' HG13 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -72.89 -69.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.0 110.964 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.565 ' CE2' HG23 ' A' ' 26' ' ' ILE . 21.2 m-85 -47.85 -44.04 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -62.48 -63.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 109.371 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -46.75 -30.02 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 1.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -20.06 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 -29.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 59' ' ' LEU . 12.4 tp -104.25 122.2 44.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 1.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.27 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.393 1.733 . . . . 1.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 85' ' ' SER . 0.1 OUTLIER -139.79 -176.11 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.6 88.52 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.385 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 46.7 t -91.43 137.83 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -165.09 150.03 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -75.69 142.08 42.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 1.0 109.216 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.529 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.6 t -179.96 68.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 110.412 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.1 tt0 -171.43 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 71' ' ' VAL . 8.9 tp10 174.24 153.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' ' 80' ' ' PHE . 83.9 t -124.57 104.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.516 ' NH2' ' CB ' ' B' ' 120' ' ' ASN . 0.4 OUTLIER -80.23 85.16 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.499 ' CB ' ' OG1' ' A' ' 8' ' ' THR . . . -92.37 100.36 12.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' B' ' 116' ' ' PHE . 2.5 t -158.31 148.44 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' CB ' HG13 ' B' ' 40' ' ' VAL . . . 56.07 48.58 17.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 1.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 48.57 30.48 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.268 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 1.4 mm-40 -132.94 117.66 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.91 96.57 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 1.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.549 ' CB ' ' CD2' ' A' ' 100' ' ' HIS . . . -101.22 91.99 4.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.642 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 35.4 p90 -110.76 148.59 32.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -114.02 119.93 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 12.1 p90 -120.89 -175.25 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.529 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -122.15 164.65 17.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 110.415 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.467 ' CG1' ' C ' ' A' ' 83' ' ' THR . 0.9 OUTLIER -152.76 123.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -93.96 125.4 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.993 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 93' ' ' THR . 4.5 p90 -146.35 132.11 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.255 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.325 -0.621 . . . . 1.0 109.325 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.589 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 74.7 m -126.0 147.45 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.431 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 2.7 p -126.45 111.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 86' ' ' PHE . 77.4 t -89.43 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -123.84 71.9 51.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.066 . . . . 1.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.436 ' HD3' ' C ' ' A' ' 95' ' ' VAL . 18.4 Cg_endo -74.99 160.89 39.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.582 1.833 . . . . 1.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.483 ' CD1' ' HD2' ' B' ' 72' ' ' ARG . 8.5 mt -120.86 114.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -90.66 135.73 33.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 1.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.549 ' CD2' ' CB ' ' A' ' 79' ' ' ALA . 4.3 t-160 -120.93 86.27 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.471 ' CD2' ' CG2' ' A' ' 11' ' ' VAL . 4.1 m-30 -69.54 150.34 47.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -128.14 106.85 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 25.0 m-85 -95.12 122.97 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.687 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 43.7 t -61.99 116.11 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 110' ' ' VAL . 46.5 t -134.28 9.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 1.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 1.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.09 141.3 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.407 ' NH1' ' HG2' ' A' ' 37' ' ' GLU . 40.3 ttt85 -137.16 129.19 29.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.53 163.02 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.61 105.1 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -121.66 126.18 48.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.386 1.054 . . . . 1.0 111.036 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -114.62 172.78 14.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 1.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.69 -20.23 47.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 1.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 15.06 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.451 ' ND2' ' OE2' ' B' ' 70' ' ' GLU . 4.2 m-20 -114.13 -11.01 12.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 117' ' ' GLY . 3.8 mp -93.22 135.74 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -127.34 91.87 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.636 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.38 154.87 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.17 177.37 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 1.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.461 0.742 . . . . 1.0 109.303 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.503 0.192 . . . . 1.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -178.58 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -152.98 154.79 31.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 110.456 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.37 4.67 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 1.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -65.52 -44.45 86.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.459 ' HB2' ' CG2' ' B' ' 3' ' ' THR . 4.1 t60 -70.17 -43.61 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.549 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -59.15 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -58.44 -38.59 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.47 -50.73 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.43 -46.98 89.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.616 ' CG1' ' CD1' ' B' ' 80' ' ' PHE . 2.9 t -56.38 -40.2 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.78 -46.83 83.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -59.71 -38.38 81.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.468 ' CD2' ' CZ ' ' B' ' 101' ' ' PHE . 17.2 t80 -63.51 -52.91 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 t -53.48 -54.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.18 . . . . 1.0 109.309 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -55.44 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.29 -35.61 38.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.435 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 9.7 tp -63.79 -53.8 45.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.72 -18.09 63.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 1.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.78 -15.74 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.401 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 78.65 12.68 83.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 1.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.503 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 0.7 OUTLIER -65.32 90.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 0.804 . . . . 1.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -72.12 -73.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.74 -39.91 78.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -56.71 23.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' B' ' 22' ' ' ASP . 57.7 mt -53.28 -42.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.748 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 87.3 t -62.73 -32.01 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.63 -19.87 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.62 -39.01 49.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 1.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' B' ' 27' ' ' VAL . 1.1 p90 -117.39 -175.15 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -45.38 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.444 ' O ' ' CG2' ' B' ' 48' ' ' THR . 0.3 OUTLIER -94.85 -11.02 29.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.361 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.47 15.81 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.406 ' HA ' HG11 ' B' ' 110' ' ' VAL . . . -55.05 159.09 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' B' ' 110' ' ' VAL . 45.8 p -109.6 122.44 47.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' B' ' 51' ' ' ILE . 14.3 t -112.64 138.14 42.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 1.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -116.98 73.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 110.245 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.591 ' OD1' ' CD2' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -105.69 134.45 19.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 1.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.471 ' HB2' ' CD1' ' B' ' 116' ' ' PHE . 18.7 Cg_endo -74.96 -44.65 0.54 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.084 -2.465 . . . . 1.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.451 HG23 ' CG1' ' A' ' 74' ' ' VAL . 2.0 t -124.21 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' B' ' 43' ' ' GLU . . . -52.07 -19.36 5.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 5.6 t -60.14 82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 0.782 . . . . 1.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER 86.17 86.59 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 110.264 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.7 14.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 1.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.14 154.58 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.329 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 82.5 p -150.44 133.05 15.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 1.0 110.067 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 115.79 123.36 3.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.162 . . . . 1.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -43.59 -25.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 110.385 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -67.62 -50.85 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.62 -38.29 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.374 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.529 HG22 ' CE1' ' B' ' 30' ' ' PHE . 30.7 mt -59.65 -59.41 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.47 ' CB ' HG22 ' B' ' 27' ' ' VAL . 22.6 ptt180 -62.85 -27.16 69.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' B' ' 57' ' ' ASN . 14.3 tp10 -61.03 -62.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 1.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.591 ' CD2' ' OD1' ' B' ' 38' ' ' ASP . 3.6 t80 -58.28 -49.72 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.193 . . . . 1.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' B' ' 59' ' ' LEU . 5.8 m-85 -60.75 -25.18 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 1.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.453 ' HB3' ' CD1' ' B' ' 23' ' ' LEU . . . -75.28 -72.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 1.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 53' ' ' GLU . 0.9 OUTLIER -52.23 -26.25 11.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 25.6 t -73.62 -53.57 10.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.062 . . . . 1.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 0.3 OUTLIER -58.74 -23.08 59.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -43.78 -26.73 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' B' ' 59' ' ' LEU . 12.0 tp -91.44 116.28 66.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 1.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' B' ' 85' ' ' SER . 0.2 OUTLIER -148.28 -176.17 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.41 102.44 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' B' ' 82' ' ' PHE . 6.4 t -92.99 142.07 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.413 ' N ' HG11 ' B' ' 65' ' ' VAL . 6.6 pt-20 -155.7 141.99 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.2 118.32 20.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -117.69 -25.29 6.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.4 OUTLIER -93.13 -171.15 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' ND2' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -87.89 -175.53 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 99.1 t -141.62 119.65 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.483 ' HD2' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -90.22 91.39 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.11 119.1 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 177.35 162.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 1.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.417 ' HB1' ' N ' ' A' ' 41' ' ' GLY . . . 53.03 54.91 9.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 44.07 32.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 1.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.418 ' HB3' ' NE2' ' B' ' 100' ' ' HIS . 2.9 mt-10 -135.18 162.76 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.52 103.68 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.466 ' HB1' ' CG ' ' B' ' 72' ' ' ARG . . . -107.81 106.3 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.672 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 29.0 p90 -111.59 142.55 43.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.476 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -108.25 132.23 53.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' B' ' 65' ' ' VAL . 40.4 p90 -140.97 172.54 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.56 160.88 15.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 1.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.6 OUTLIER -137.27 116.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.0 109.269 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -96.83 110.54 23.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.477 1.111 . . . . 1.0 109.967 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.562 ' CE1' ' HB ' ' B' ' 93' ' ' THR . 5.8 p90 -139.78 137.14 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.481 ' HB2' ' CB ' ' B' ' 92' ' ' LYS . 56.2 tt0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 1.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.305 -0.257 . . . . 1.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.481 ' CB ' ' HB2' ' B' ' 87' ' ' GLU . 9.4 tttm -104.19 157.47 17.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.571 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 5.0 m -155.73 146.1 21.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.471 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -125.87 117.96 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 1.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.536 ' CG2' HG12 ' B' ' 121' ' ' ILE . 57.9 t -100.86 166.59 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.407 ' HB2' ' ND2' ' B' ' 120' ' ' ASN . . . -137.35 71.12 53.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.482 ' CD ' HG11 ' B' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 164.94 32.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 1.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -126.26 117.27 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.672 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.2 m-20 -93.54 146.07 24.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' B' ' 77' ' ' GLU . 39.6 t-80 -136.24 121.62 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.545 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.468 ' CZ ' ' CD2' ' B' ' 14' ' ' TYR . 16.8 m-30 -113.99 145.61 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 137.41 48.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.586 ' CE1' ' CG2' ' B' ' 109' ' ' VAL . 16.2 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.586 ' CG2' ' CE1' ' B' ' 103' ' ' PHE . 46.6 t -68.57 115.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 1.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.436 ' O ' HG11 ' B' ' 110' ' ' VAL . 58.0 t -135.18 10.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.09 121.14 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 110.049 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.57 ' HE2' ' CD2' ' B' ' 30' ' ' PHE . 1.7 mtt -145.65 153.54 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -155.0 143.05 20.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.213 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' B' ' 39' ' ' PRO . . . -111.31 169.17 8.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.503 ' O ' ' CD ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -143.97 104.53 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -121.79 177.56 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 111.06 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.97 -173.66 45.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.37 -27.14 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 1.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -66.3 -13.26 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.0 109.256 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.516 ' CB ' ' NH2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -110.82 31.82 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 1.0 109.244 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.571 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 5.1 mt -122.4 149.63 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -143.26 102.19 3.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 109.576 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.87 164.66 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.52 -178.54 47.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 1.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 1.0 109.283 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.58 ' OG1' ' CD2' ' A' ' 6' ' ' HIS . 34.3 p -116.38 155.45 48.46 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 1.0 110.462 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.6 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.18 -43.32 78.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 1.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.58 ' CD2' ' OG1' ' A' ' 3' ' ' THR . 11.6 m-70 -71.6 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.439 ' HE2' ' CB ' ' A' ' 73' ' ' ALA . 30.8 mtm -58.29 -57.87 10.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 m -57.54 -48.22 79.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.433 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.75 72.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.39 -43.23 97.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.618 1.198 . . . . 1.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.57 HG12 ' CD1' ' A' ' 80' ' ' PHE . 56.0 t -58.57 -42.82 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -58.16 9.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -35.88 63.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 1.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 50.5 t80 -67.38 -48.15 68.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.407 ' CG2' HD22 ' A' ' 67' ' ' LEU . 3.0 t -54.34 -46.53 69.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.34 -62.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.36 -39.96 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.9 tp -58.47 -55.45 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -15.13 58.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.93 -13.26 36.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 66.93 25.51 73.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.574 1.171 . . . . 1.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 12.7 t0 -83.22 90.19 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 1.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.22 -51.69 28.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 1.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -54.67 31.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -60.49 -59.98 9.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 44.6 mt -42.0 -37.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.1 t -68.26 -49.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 1.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -62.82 -14.01 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.314 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -64.18 -45.49 88.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.7 p90 -115.53 -176.57 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.5 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -16.63 18.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 1.0 109.252 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.78 12.06 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -52.75 160.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 1.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.6 p -123.0 107.73 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 1.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.479 ' CG2' HG12 ' A' ' 51' ' ' ILE . 41.1 t -90.07 137.75 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -124.17 62.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 1.7 p-10 -138.92 130.42 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.45 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.1 -144.06 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.975 -2.511 . . . . 1.0 110.95 0.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' CB ' HG12 ' B' ' 74' ' ' VAL . 2.1 t -94.78 -178.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.359 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.59 9.44 19.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 1.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 p 69.58 174.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 68.98 71.22 0.38 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.01 -170.4 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 1.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.571 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.5 mmt-85 -128.51 108.54 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.3 p -104.62 122.38 45.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 1.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.41 172.12 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.472 HG21 ' CG1' ' A' ' 27' ' ' VAL . 1.3 m -74.53 -51.96 13.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 1.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.6 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.86 -63.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.479 HG12 ' CG2' ' A' ' 36' ' ' VAL . 97.5 mt -47.77 -47.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -62.42 -36.0 81.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.63 -52.0 67.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 1.2 m-30 -62.9 -63.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 1.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.408 ' CE2' ' OH ' ' A' ' 14' ' ' TYR . 14.5 m-85 -49.52 -27.85 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -74.79 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -43.88 -39.79 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -52.61 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 1.0 OUTLIER -54.46 -19.66 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 1.0 109.36 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.71 -29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 10.9 tp -105.42 139.59 20.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.592 1.838 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.598 HD21 ' CE1' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -77.2 174.79 10.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.67 113.04 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 66' ' ' GLU . 37.4 t -86.49 148.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' N ' HG11 ' A' ' 65' ' ' VAL . 6.1 pt-20 -162.28 122.76 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 1.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 15' ' ' VAL . 1.8 mm? -59.1 142.64 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.511 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 7.6 t -142.77 14.55 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -141.08 -96.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 178.83 179.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 45.2 t -122.1 128.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.495 ' NH1' ' ND2' ' B' ' 120' ' ' ASN . 8.1 mtp85 -115.36 107.31 15.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 1.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.439 ' CB ' ' HE2' ' A' ' 7' ' ' MET . . . -94.59 136.79 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' ASN . 1.4 t -133.28 -147.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . -48.52 95.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 1.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.7 m120 39.19 30.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.228 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -124.92 160.77 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 1.0 110.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -151.22 110.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.88 114.3 18.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.684 ' CE1' ' CB ' ' A' ' 99' ' ' ASP . 30.7 p90 -126.06 163.4 23.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.421 1.076 . . . . 1.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -118.63 131.7 56.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.608 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 18.9 p90 -140.06 173.64 11.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 1.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.511 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.85 167.74 9.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.453 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.578 HG22 ' CE1' ' A' ' 86' ' ' PHE . 7.1 m -153.02 132.93 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -109.86 118.61 36.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 110.022 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.598 ' CE1' HD21 ' A' ' 63' ' ' LEU . 12.5 m-30 -107.01 97.87 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 tttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 85' ' ' SER . 1.8 m -103.94 162.01 13.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 1.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.6 t -138.02 89.02 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.574 ' CG2' HG12 ' A' ' 121' ' ' ILE . 55.7 t -86.67 159.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -128.63 77.63 77.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.94 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 1.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.492 ' CG1' ' HG3' ' B' ' 72' ' ' ARG . 1.5 mt -130.4 119.47 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.684 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -88.93 143.47 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.417 ' NE2' HD13 ' B' ' 115' ' ' LEU . 0.4 OUTLIER -154.18 100.78 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.57 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.24 177.48 6.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -122.97 178.86 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -133.16 127.61 34.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 109.231 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.571 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 9.1 t -55.58 116.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.476 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 97.2 t -117.44 -69.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 1.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.0 m -72.57 122.93 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 1.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.47 ' HE2' ' CG ' ' A' ' 30' ' ' PHE . 5.2 mtt -138.32 138.18 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -140.35 135.47 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -117.15 156.15 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' B' ' 77' ' ' GLU . 0.7 OUTLIER -136.1 151.74 50.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD1' HG22 ' B' ' 74' ' ' VAL . 6.3 p90 -166.62 146.04 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -154.15 170.07 32.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 1.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.41 -3.7 35.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 1.0 110.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.9 tptm -74.04 -4.05 33.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.085 . . . . 1.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -152.73 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 1.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.574 HG12 ' CG2' ' A' ' 95' ' ' VAL . 5.7 mt -130.58 141.66 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -129.26 81.41 2.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 1.0 109.55 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.68 122.35 27.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.35 179.48 25.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 1.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.413 0.713 . . . . 1.0 109.297 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.486 0.184 . . . . 1.0 110.924 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.66 87.98 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' B' ' 6' ' ' HIS . 0.6 OUTLIER -156.29 155.87 29.5 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.391 1.057 . . . . 1.0 110.425 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . 0.421 ' O ' ' OG1' ' B' ' 8' ' ' THR . 18.3 Cg_endo -75.05 -42.13 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 1.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.478 ' HB2' ' CG2' ' B' ' 3' ' ' THR . 7.0 t-160 -70.43 -64.88 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 1.0 109.65 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.537 ' SD ' ' CB ' ' B' ' 73' ' ' ALA . 23.3 ptp -50.55 -43.02 56.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.516 ' N ' ' HG3' ' B' ' 7' ' ' MET . 97.6 m -63.09 -41.6 99.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.45 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.94 -44.42 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.352 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' B' ' 80' ' ' PHE . 2.6 t -54.38 -50.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -58.61 -43.33 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -45.05 93.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.593 ' CD2' HD22 ' B' ' 18' ' ' LEU . 85.9 t80 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' B' ' 18' ' ' LEU . 6.1 t -47.65 -47.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.82 -52.56 40.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -33.84 75.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.593 HD22 ' CD2' ' B' ' 14' ' ' TYR . 4.6 mm? -62.92 -45.19 93.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.9 -34.37 77.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.74 -7.3 57.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.472 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 67.43 16.77 67.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.568 1.167 . . . . 1.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.517 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 7.7 t0 -58.96 97.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 0.728 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 0.8 OUTLIER -74.64 -74.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -47.99 -42.26 27.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.56 -60.92 7.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 1.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.543 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 54.7 mt -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.609 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.0 t -77.78 -33.52 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -85.07 -6.27 59.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 9.0 tt -63.44 -45.53 90.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 1.5 p90 -106.21 -177.25 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -45.48 169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' B' ' 48' ' ' THR . 3.4 p30 -93.56 -4.59 50.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 1.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -136.41 28.03 3.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.361 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -71.97 163.4 27.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 82.0 p -113.32 121.1 43.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.484 HG22 ' CG2' ' B' ' 51' ' ' ILE . 86.7 t -96.08 145.39 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.412 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 9.6 tp10 -136.65 57.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 1.0 110.213 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.519 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 1.0 OUTLIER -138.05 148.53 60.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.519 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.03 -65.17 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.961 -2.516 . . . . 1.0 111.008 0.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.483 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.2 OUTLIER -155.14 -176.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.65 11.33 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 1.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t 65.42 -179.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 1.0 109.948 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 66.57 75.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.6 39.6 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.509 1.794 . . . . 1.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.517 ' CG ' ' CB ' ' B' ' 50' ' ' ALA . 0.7 OUTLIER -92.84 117.31 29.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 110.349 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -103.55 122.82 45.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 112.22 124.95 4.44 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.142 . . . . 1.0 111.088 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.503 ' CG2' ' CG1' ' B' ' 27' ' ' VAL . 2.9 m -44.38 -25.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 1.0 110.393 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -63.99 -56.55 14.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 1.0 109.356 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.517 ' CB ' ' CG ' ' B' ' 45' ' ' ARG . . . -65.64 -26.15 67.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 1.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.486 HG22 ' CE1' ' B' ' 30' ' ' PHE . 79.0 mt -67.37 -69.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.0 OUTLIER -50.63 -34.61 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 1.0 110.286 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -58.97 -58.34 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 1.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -56.8 10.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.466 ' HB3' ' CD2' ' B' ' 23' ' ' LEU . 2.1 m-85 -50.55 -28.53 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -74.87 -53.96 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -60.32 -23.45 64.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 1.143 . . . . 1.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -66.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 1.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.472 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.9 OUTLIER -53.88 -19.8 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -40.06 -29.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.452 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.9 tp -83.12 139.3 42.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 1.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.1 Cg_endo -74.98 77.94 3.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 1.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.83 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.68 118.7 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.428 HG12 ' CD2' ' B' ' 82' ' ' PHE . 79.3 t -87.1 143.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.411 ' N ' HG11 ' B' ' 65' ' ' VAL . 25.7 pt-20 -144.96 148.6 34.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.71 142.71 27.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 1.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.458 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.2 t 179.14 67.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.1 OUTLIER -179.12 -147.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -112.69 164.55 13.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 59.1 t -130.88 96.85 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.492 ' HG3' ' CG1' ' A' ' 98' ' ' ILE . 10.0 mmt180 -71.03 89.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 110.317 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.537 ' CB ' ' SD ' ' B' ' 7' ' ' MET . . . -90.8 156.47 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.575 HG22 ' CD1' ' A' ' 116' ' ' PHE . 2.4 p -171.55 -148.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.541 ' N ' ' CG1' ' B' ' 74' ' ' VAL . . . -45.36 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 1.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.4 OUTLIER 36.02 32.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -126.09 152.38 45.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 110.266 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -147.82 119.11 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' B' ' 100' ' ' HIS . . . -124.93 91.43 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.585 ' CZ ' HG11 ' B' ' 11' ' ' VAL . 30.4 p90 -109.2 161.38 15.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 1.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' B' ' 69' ' ' GLN . . . -115.41 124.25 50.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 1.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 9.7 p90 -123.67 -175.69 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.458 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -125.07 153.26 43.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.48 HG12 ' CD ' ' B' ' 97' ' ' PRO . 0.9 OUTLIER -127.6 121.1 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -95.19 119.32 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' B' ' 93' ' ' THR . 2.5 p90 -150.98 133.87 15.85 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 1.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 1.0 110.282 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.313 -0.255 . . . . 1.0 110.313 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.463 ' HD2' ' CB ' ' B' ' 125' ' ' ALA . 0.0 OUTLIER -90.06 147.85 23.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 27.8 m -157.07 143.17 17.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 110.37 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -126.92 116.68 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.573 HG12 ' CZ ' ' B' ' 116' ' ' PHE . 99.5 t -94.49 168.04 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -137.06 74.39 49.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.581 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.14 159.12 41.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 1.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.424 HG13 ' NH2' ' A' ' 72' ' ' ARG . 26.3 mt -109.81 116.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.496 ' HB3' ' CE1' ' B' ' 80' ' ' PHE . 1.5 m-20 -93.4 124.17 37.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.515 ' O ' ' CD2' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -139.08 120.25 14.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.656 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.491 ' CB ' ' HA ' ' B' ' 112' ' ' MET . 5.6 p90 -156.19 169.72 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 111.072 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . 0.426 ' HB3' ' CG ' ' B' ' 77' ' ' GLU . 4.6 ptm180 -133.32 159.41 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.576 ' C ' ' CD1' ' B' ' 103' ' ' PHE . 1.7 p90 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 1.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.457 ' C ' ' HB2' ' B' ' 103' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.444 HG21 ' CB ' ' B' ' 103' ' ' PHE . 2.1 t -91.37 128.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.509 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 38.6 t -128.26 3.26 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.44 121.37 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.491 ' HA ' ' CB ' ' B' ' 101' ' ' PHE . 1.1 ptm -151.85 147.8 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.511 ' HB2' ' CE1' ' B' ' 100' ' ' HIS . 1.9 mtm180 -140.48 170.03 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' B' ' 38' ' ' ASP . . . -145.1 164.38 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 1.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.424 HD22 ' CG2' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -134.03 106.64 7.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.573 ' CZ ' HG12 ' B' ' 95' ' ' VAL . 8.7 t80 -112.94 75.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.07 -176.98 32.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -109.96 0.31 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 1.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.33 23.03 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.495 ' ND2' ' NH1' ' A' ' 72' ' ' ARG . 2.0 p30 -146.95 52.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.212 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.528 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 7.8 mt -133.61 143.77 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -133.95 101.44 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 1.0 109.555 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.36 172.72 13.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.08 173.83 39.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 1.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.517 ' O ' ' SD ' ' A' ' 7' ' ' MET . 31.0 p -92.79 155.65 41.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 1.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 13.0 pt-20 -68.42 -28.49 67.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.421 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 7.1 t60 -75.99 -65.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.585 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 3' ' ' THR . 0.9 OUTLIER -52.38 -44.38 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 88.7 m -65.6 -44.23 87.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -58.57 -32.94 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.7 t -69.28 -48.7 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.572 HG13 ' CD2' ' A' ' 80' ' ' PHE . 2.6 t -52.92 -41.83 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -50.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -33.69 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.348 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.458 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 3.0 t80 -67.35 -47.12 71.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG2' HD22 ' A' ' 67' ' ' LEU . 3.3 t -57.95 -47.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -53.8 52.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 1.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.51 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 13.1 tp -57.29 -54.13 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.435 ' ND2' ' CB ' ' A' ' 64' ' ' ALA . 10.8 t-20 -57.75 -24.66 58.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.76 30.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 1.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.15 40.54 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 1.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 1.6 t0 -92.82 94.9 9.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 1.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -74.78 -75.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 1.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.435 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 5.8 t0 -50.95 -39.68 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -59.84 -60.34 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 1.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.505 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 42.5 mt -52.31 -28.65 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 1.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.579 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 13.7 t -78.23 -30.05 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 1.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -84.95 -11.7 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -60.47 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 23.7 p90 -84.6 -175.44 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' PHE . . . -49.39 177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -105.48 -12.15 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.17 27.14 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -75.49 178.23 6.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.7 p -126.81 125.07 41.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.491 HG22 ' CG2' ' A' ' 51' ' ' ILE . 87.6 t -97.55 137.74 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 34.0 mt-10 -135.35 64.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.46 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -109.04 134.71 20.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . 18.4 Cg_endo -74.96 -49.33 0.23 Allowed 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.046 -2.481 . . . . 1.0 110.943 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.476 ' CG2' HG13 ' B' ' 74' ' ' VAL . 2.4 t -115.84 -174.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -52.23 -19.47 5.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 1.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -53.32 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER 82.56 76.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 166.16 29.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.446 1.761 . . . . 1.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.41 146.1 36.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 1.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 p -139.94 136.29 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 1.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 147.98 23.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -62.47 -12.71 23.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 0.753 . . . . 1.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.11 -66.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.491 ' CG2' HG22 ' A' ' 36' ' ' VAL . 68.0 mt -67.72 -68.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 48' ' ' THR . 40.0 ttm180 -50.32 -34.05 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 6.6 tt0 -62.61 -64.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 1.0 110.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.649 ' CE1' ' NH1' ' A' ' 45' ' ' ARG . 10.1 t80 -54.09 -51.77 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.06 -32.29 66.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 1.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . . . -68.32 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -52.85 -21.11 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 1.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t -73.71 -59.7 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 1.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.98 -21.48 58.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.356 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.36 -23.49 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 12.8 tp -79.27 134.3 59.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 70.13 5.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -125.34 -176.41 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.435 ' CB ' ' ND2' ' A' ' 19' ' ' ASN . . . -145.77 164.9 30.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 82' ' ' PHE . 91.3 t -138.63 137.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 1.2 tt0 -151.84 139.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 1.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.43 HD22 ' CG2' ' A' ' 15' ' ' VAL . 2.0 mm? -81.57 116.22 21.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -113.78 -26.63 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -87.16 -93.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.14 175.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.501 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 62.0 t -115.23 123.46 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.559 ' CZ ' ' ND2' ' B' ' 120' ' ' ASN . 3.7 mmm180 -98.21 82.38 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.474 ' CB ' ' HE1' ' A' ' 7' ' ' MET . . . -88.63 126.82 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 75' ' ' ALA . 2.3 p -144.94 -148.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.556 ' N ' ' CG1' ' A' ' 74' ' ' VAL . . . -41.56 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 1.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' VAL . 2.3 m-80 36.81 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.9 OUTLIER -122.82 158.75 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -152.4 86.36 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 1.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.663 ' CB ' ' CE1' ' A' ' 100' ' ' HIS . . . -100.6 96.51 7.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 45.2 p90 -114.14 149.21 35.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 1.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -108.85 125.54 52.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 1.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CD2' HG12 ' A' ' 65' ' ' VAL . 44.1 p90 -128.89 168.67 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -111.51 144.93 39.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.474 HG11 ' CD ' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -118.99 129.7 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -108.86 120.32 42.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 93' ' ' THR . 2.7 p90 -141.51 147.0 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 110.284 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.564 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 87.1 m -146.47 143.83 29.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.08 122.95 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 86' ' ' PHE . 21.7 t -103.12 170.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.447 ' CB ' ' ND2' ' A' ' 120' ' ' ASN . . . -143.46 68.59 17.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 18.3 Cg_endo -75.0 161.34 38.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 1.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.482 HG23 ' CE1' ' A' ' 100' ' ' HIS . 10.6 mt -114.05 116.0 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 1.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -89.78 135.99 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.663 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -122.71 93.94 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.0 109.603 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 112' ' ' MET . 6.0 m-30 -90.08 147.48 23.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.16 116.38 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -82.94 123.75 29.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 1.0 111.052 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 1.0 109.304 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.495 HG21 ' CD1' ' A' ' 103' ' ' PHE . 18.0 t -51.57 116.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.476 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 76.0 t -110.33 -4.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 1.0 109.384 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -160.4 132.95 6.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 1.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.569 ' HB2' ' CD1' ' A' ' 101' ' ' PHE . 5.0 ptp -151.57 133.13 14.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.474 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -133.99 142.53 47.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 39' ' ' PRO . . . -101.96 168.15 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.67 106.49 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 39' ' ' PRO . 6.5 m-85 -100.76 -175.4 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -169.14 172.6 43.43 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.527 1.142 . . . . 1.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.4 -7.6 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 1.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.38 17.62 20.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.505 ' OD1' ' CZ ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -122.07 24.78 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.485 ' C ' ' CD2' ' A' ' 122' ' ' HIS . 2.0 mt -126.51 149.48 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.9 OUTLIER -141.6 102.63 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.638 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.79 170.14 16.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.7 179.37 39.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.441 1.088 . . . . 1.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.74 . . . . 1.0 109.354 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.197 . . . . 1.0 110.985 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 170.11 103.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.578 HG22 ' CG ' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -151.1 153.26 32.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 110.404 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.2 Cg_endo -75.06 -36.24 2.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 1.3 pt-20 -61.64 -30.12 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 1.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.578 ' CG ' HG22 ' B' ' 3' ' ' THR . 9.1 m170 -80.51 -67.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.574 ' HA ' ' CZ ' ' B' ' 103' ' ' PHE . 1.5 ptm -48.08 -40.05 22.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 1.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.529 ' CB ' ' O ' ' B' ' 4' ' ' PRO . 55.8 m -71.68 -49.73 36.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 1.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -53.76 -36.06 61.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 1.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' B' ' 29' ' ' LEU . 5.2 t -69.84 -47.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.563 HG12 ' CD1' ' B' ' 80' ' ' PHE . 2.5 t -50.55 -39.76 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -67.82 -56.27 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -54.28 -29.12 46.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 1.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 7.6 t80 -71.81 -52.04 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 1.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 t -52.5 -46.48 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.21 70.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.451 ' CB ' HG12 ' B' ' 26' ' ' ILE . . . -55.75 -24.7 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.425 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 16.0 tp -78.11 -48.2 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.196 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -56.83 -31.51 64.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 1.0 109.418 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.49 -24.94 36.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 1.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.476 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 70.48 52.48 16.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 111.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -110.8 89.24 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 1.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' B' ' 27' ' ' VAL . 7.1 mt -59.93 -41.44 91.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.14 -55.04 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -65.31 -63.44 4.12 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.591 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 71.1 mt -40.89 -38.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 1.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.572 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 24.3 t -68.66 -48.84 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 1.0 109.23 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -64.5 -12.0 39.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -70.02 -65.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 28.5 p90 -90.73 -176.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.84 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' B' ' 48' ' ' THR . 0.2 OUTLIER -110.76 5.74 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -145.79 19.85 1.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 1.0 109.383 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -64.84 -177.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 61.7 p -133.66 121.74 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.36 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.46 ' CG2' HG12 ' B' ' 51' ' ' ILE . 29.4 t -98.94 137.83 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.47 ' CG ' ' HG2' ' B' ' 113' ' ' ARG . 7.2 tp10 -140.74 92.72 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.487 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.6 OUTLIER -147.47 145.58 22.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 1.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' B' ' 116' ' ' PHE . 18.2 Cg_endo -75.01 -63.53 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.027 -2.489 . . . . 1.0 111.004 0.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.483 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -160.99 166.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 109.288 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 119.02 5.69 11.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 1.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 84.97 -178.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 1.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 76.8 69.86 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -177.74 3.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 1.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmm-85 -139.71 98.21 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -92.31 140.59 29.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.21 147.12 20.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 1.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.465 ' CG2' ' CG1' ' B' ' 27' ' ' VAL . 0.2 OUTLIER -61.8 -21.46 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 1.0 110.421 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.25 -60.48 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 1.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.23 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.545 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 52.6 mt -66.32 -68.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 17.3 ttp180 -52.1 -33.69 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 1.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 19.6 mt-10 -63.62 -44.34 94.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 1.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -54.82 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.468 ' HB3' ' CD2' ' B' ' 23' ' ' LEU . 20.7 m-85 -59.96 -28.05 67.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 1.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -78.26 -73.66 0.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 1.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.55 -29.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.41 ' N ' ' C ' ' B' ' 56' ' ' ALA . 98.5 p -82.96 -45.74 13.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 1.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.476 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 7.3 mt -55.55 -20.95 14.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 1.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.491 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -96.69 140.5 22.18 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.491 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.98 55.39 3.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.407 1.74 . . . . 1.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.504 ' CD2' ' HB3' ' B' ' 86' ' ' PHE . 26.2 mt -53.8 166.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' B' ' 85' ' ' SER . . . -141.32 64.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' B' ' 83' ' ' THR . 33.0 t -76.55 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 1.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.74 146.06 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 1.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.6 156.0 37.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' B' ' 69' ' ' GLN . 0.1 OUTLIER 174.65 57.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -167.95 -92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.426 ' HG3' ' NH1' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -167.93 161.72 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.483 HG23 ' CB ' ' B' ' 80' ' ' PHE . 96.1 t -127.16 117.12 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.505 ' CZ ' ' OD1' ' A' ' 120' ' ' ASN . 16.1 mmp_? -89.37 82.15 6.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.484 ' CB ' ' HE1' ' B' ' 7' ' ' MET . . . -90.83 114.06 26.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' B' ' 76' ' ' ASN . 1.4 t -136.41 -146.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -44.37 90.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 74' ' ' VAL . 26.0 m-20 35.35 35.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 1.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 75' ' ' ALA . 1.0 OUTLIER -132.95 105.32 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 1.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -103.22 95.26 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -107.21 97.34 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' B' ' 99' ' ' ASP . 48.4 p90 -117.16 161.9 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.487 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -114.21 126.54 55.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.436 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 36.7 p90 -130.25 -177.92 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 1.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.432 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -118.83 158.88 24.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.54 ' CG1' ' CD ' ' B' ' 97' ' ' PRO . 0.3 OUTLIER -136.78 100.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -79.96 126.45 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 1.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 5.5 p90 -155.65 137.07 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.468 ' CG ' ' HG2' ' B' ' 92' ' ' LYS . 25.3 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.33 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.315 -0.254 . . . . 1.0 110.315 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.468 ' HG2' ' CG ' ' B' ' 87' ' ' GLU . 3.8 mttp -100.88 158.37 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.565 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 28.2 m -156.74 154.41 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 110.395 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -142.9 117.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 1.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.427 HG22 ' CE1' ' B' ' 86' ' ' PHE . 21.7 t -94.89 165.58 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.453 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -138.92 67.95 42.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.586 ' HB3' ' CD1' ' B' ' 116' ' ' PHE . 18.1 Cg_endo -75.04 162.41 37.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 1.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' B' ' 81' ' ' ALA . 33.4 mt -112.64 116.4 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 1.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.582 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 1.0 OUTLIER -87.24 142.59 27.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -140.65 95.1 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 15.7 m-30 -96.02 140.98 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 1.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 114.61 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 16.4 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 17.4 t -93.0 119.13 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.49 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 77.0 t -115.93 -8.26 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' SER . . . . . 0.45 ' OG ' ' NH2' ' B' ' 113' ' ' ARG . 4.8 t -147.92 133.23 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 1.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 133.76 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.47 ' HG2' ' CG ' ' B' ' 37' ' ' GLU . 3.7 mtt85 -133.51 148.3 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 39' ' ' PRO . . . -117.97 161.98 18.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 77' ' ' GLU . 1.5 mp -137.82 120.36 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' B' ' 97' ' ' PRO . 3.9 m-85 -110.98 -175.74 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.98 39.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 1.0 111.033 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.87 -69.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 1.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -60.28 -14.72 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 1.0 109.237 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.559 ' ND2' ' CZ ' ' A' ' 72' ' ' ARG . 2.0 t-20 -54.91 -19.09 5.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.6 mt -96.2 134.91 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.1 OUTLIER -125.34 92.64 3.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 1.0 109.61 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.96 169.83 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . 171.8 173.11 38.39 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 1.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 1.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.259 -0.645 . . . . 1.0 109.259 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p -98.44 155.47 36.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 1.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -32.49 5.31 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.526 1.803 . . . . 1.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.2 -46.91 86.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 1.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -71.58 -45.37 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.543 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.447 ' HE1' ' CB ' ' A' ' 73' ' ' ALA . 11.5 mtm -53.62 -50.68 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -64.1 -48.41 76.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.34 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 1.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.4 t -68.78 -40.71 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 t -57.42 -42.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -52.43 50.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 1.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -56.79 -35.29 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 110.232 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -65.67 -54.1 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 1.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 80.9 t -58.46 -61.2 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.47 -45.12 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 1.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' CB ' HG12 ' A' ' 26' ' ' ILE . . . -60.19 -37.75 81.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.203 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 23.5 tp -62.97 -57.65 10.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.59 -23.88 59.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 1.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.09 46.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.464 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 86.32 46.05 5.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 1.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.505 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -98.65 91.83 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 0.796 . . . . 1.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.03 -69.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -35.07 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.372 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.15 -62.07 6.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 1.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.52 HG23 ' CE2' ' A' ' 55' ' ' TYR . 51.2 mt -53.22 -45.8 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 59.5 t -60.41 -30.62 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.15 -21.07 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.26 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tt -56.71 -49.27 75.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 7.6 p90 -108.69 -175.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' CB ' HG21 ' A' ' 110' ' ' VAL . . . -44.84 167.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' O ' ' CG2' ' A' ' 48' ' ' THR . 1.7 m-20 -98.19 -10.82 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 1.0 109.395 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.11 15.27 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.85 160.7 3.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 1.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 46' ' ' SER . 69.7 p -112.95 142.49 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' PRO . 3.1 t -116.41 153.53 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 1.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 3.3 tm-20 -159.49 60.17 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.53 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -129.65 134.87 26.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.378 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.53 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -75.08 -69.12 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.065 -2.473 . . . . 1.0 111.017 0.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG22 ' CG1' ' B' ' 74' ' ' VAL . 0.1 OUTLIER -156.78 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.283 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 123.87 0.09 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.401 1.063 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 85.54 -172.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 109.989 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' SER . 10.7 pt-20 42.4 81.49 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 1.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.04 154.1 42.08 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.451 1.764 . . . . 1.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -104.37 105.67 15.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 35' ' ' THR . 11.6 p -110.11 166.65 10.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 91.99 125.1 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.9 p -41.29 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 1.0 110.411 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -66.09 -61.97 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -59.94 -50.16 74.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.47 ' CD1' ' CG2' ' A' ' 36' ' ' VAL . 3.6 mt -56.44 -31.02 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' THR . 10.2 ttt180 -74.76 -73.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 1.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -45.84 -30.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 15.8 t80 -72.81 -67.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.52 ' CE2' HG23 ' A' ' 26' ' ' ILE . 5.8 m-85 -47.72 -42.21 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 1.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 59' ' ' LEU . . . -64.59 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -45.34 -26.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' ALA . 3.8 t -79.64 -43.04 23.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -62.18 -24.25 67.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -22.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.492 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 9.6 tp -98.16 140.27 21.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.07 55.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.427 1.751 . . . . 1.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -93.41 144.95 24.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.518 1.136 . . . . 1.0 109.349 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.437 ' N ' ' CD2' ' A' ' 63' ' ' LEU . . . -121.64 105.0 10.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 82' ' ' PHE . 5.9 t -103.88 140.78 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 8.6 tt0 -172.95 147.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.408 1.068 . . . . 1.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 82' ' ' PHE . 2.3 pp -77.06 157.77 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 68' ' ' THR . 0.9 OUTLIER -173.17 53.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 1.0 110.451 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -166.02 -98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.67 161.01 38.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 1.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 62.4 t -129.42 118.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.498 ' NH2' ' ND2' ' B' ' 120' ' ' ASN . 0.7 OUTLIER -86.46 74.32 9.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' CB ' ' HE1' ' A' ' 7' ' ' MET . . . -90.54 77.66 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 1.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' B' ' 40' ' ' VAL . 10.0 p -141.29 155.53 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.485 ' CB ' ' HB ' ' B' ' 40' ' ' VAL . . . 54.26 49.92 17.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 46.38 33.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 1.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' OE1' ' NE2' ' A' ' 100' ' ' HIS . 1.2 mt-10 -136.05 125.7 25.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 1.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -105.76 88.3 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 1.0 109.234 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 72' ' ' ARG . . . -101.95 84.51 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.569 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 38.8 p90 -107.07 165.07 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -111.65 130.95 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 44.8 p90 -136.23 160.78 37.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -101.52 165.15 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -149.21 113.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.85 122.28 40.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 93' ' ' THR . 2.9 p90 -140.38 134.04 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 110.318 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.6 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 17.2 m -135.04 154.69 51.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -132.65 113.16 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.501 HG22 ' CE1' ' A' ' 86' ' ' PHE . 79.1 t -98.08 148.79 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' B' ' 72' ' ' ARG . . . -126.4 68.89 67.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.2 Cg_endo -75.08 170.36 20.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 1.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.466 HD12 ' CZ ' ' B' ' 72' ' ' ARG . 67.4 mt -114.85 117.42 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.569 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.2 m-20 -89.12 125.82 35.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 77' ' ' GLU . 1.1 t-80 -121.52 104.62 9.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 1.0 109.651 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 101' ' ' PHE . 8.1 m-30 -99.69 162.52 12.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 1.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -127.58 127.2 43.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 1.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.718 ' CZ ' ' CG2' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -111.07 113.67 26.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.718 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 21.2 t -65.53 129.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 110' ' ' VAL . 52.4 t -134.8 10.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.0 146.29 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.486 ' HE3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -159.19 103.65 1.65 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.067 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 9.2 mtt180 -117.31 173.63 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.493 ' CB ' ' OD1' ' A' ' 38' ' ' ASP . . . -142.77 159.79 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 1.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.62 103.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.8 OUTLIER -114.82 125.17 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.504 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -91.14 -172.36 43.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -108.24 5.65 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 1.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 11.14 10.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 1.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.04 35.68 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 1.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 5.1 mp -132.48 148.97 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 1.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -130.02 104.69 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.82 158.68 15.74 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 1.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.75 174.98 44.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 1.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 1.0 109.239 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.447 0.165 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 72.36 54.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 38.4 p -95.32 155.58 38.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . 0.401 ' O ' ' OG1' ' B' ' 8' ' ' THR . 18.4 Cg_endo -74.95 -37.37 2.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 1.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 2.8 mt-10 -66.11 -39.24 89.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.45 ' O ' ' CG2' ' B' ' 10' ' ' VAL . 15.1 t60 -70.67 -48.12 56.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 1.0 109.607 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' B' ' 77' ' ' GLU . 62.9 mtm -59.9 -60.45 3.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 4' ' ' PRO . 4.4 m -54.84 -42.48 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -61.71 -36.4 80.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 1.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' B' ' 6' ' ' HIS . 48.9 t -66.38 -38.35 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.521 HG23 ' CD1' ' B' ' 80' ' ' PHE . 5.5 t -62.85 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.626 1.204 . . . . 1.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -37.79 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.76 -45.0 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.441 ' CG1' HG13 ' B' ' 65' ' ' VAL . 3.0 t -61.82 -46.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.1 -60.7 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 21' ' ' GLY . . . -49.6 -44.86 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.42 -55.15 31.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -62.01 -20.42 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.2 -16.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' B' ' 17' ' ' ALA . . . 67.46 31.19 76.13 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.103 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -82.53 73.1 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 0.76 . . . . 1.0 109.369 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' B' ' 27' ' ' VAL . 30.8 mt -51.66 -34.74 39.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.39 -33.02 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 1.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.602 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 26.2 mt -72.83 -48.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 1.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.571 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 71.4 t -63.1 -16.79 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.88 -26.87 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.59 -39.83 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.9 p90 -116.7 -174.67 2.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -50.27 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -100.9 -20.03 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -126.38 38.89 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' CE ' ' B' ' 112' ' ' MET . . . -78.62 156.25 29.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' B' ' 46' ' ' SER . 24.6 p -104.32 124.84 49.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.485 HG22 ' CG1' ' B' ' 51' ' ' ILE . 2.0 t -119.04 140.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HG3' ' CG ' ' B' ' 113' ' ' ARG . 9.0 pt-20 -134.13 102.39 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' B' ' 54' ' ' PHE . 1.0 OUTLIER -119.42 136.31 24.52 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -75.01 -46.58 0.36 Allowed 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 1.0 110.968 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.485 ' HB ' ' CB ' ' A' ' 75' ' ' ALA . 2.0 t -116.02 -170.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 1.0 109.365 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' B' ' 43' ' ' GLU . . . -50.12 -20.55 3.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.4 p -53.87 88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 1.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 41' ' ' GLY . 3.0 mm-40 81.5 78.76 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 1.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' B' ' 50' ' ' ALA . 3.4 mmt-85 -155.2 176.53 12.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.46 ' HB3' ' CG2' ' B' ' 35' ' ' THR . 77.4 p -170.31 156.07 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 1.0 110.002 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.36 153.67 30.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.474 ' CG2' ' CG1' ' B' ' 27' ' ' VAL . 39.8 p -59.8 -17.09 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 1.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.465 ' HB3' ' CG ' ' B' ' 45' ' ' ARG . . . -61.41 -33.13 73.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.485 ' CG1' HG22 ' B' ' 36' ' ' VAL . 9.4 mt -59.39 -62.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -62.05 -32.76 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.85 -43.13 98.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 1.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' B' ' 38' ' ' ASP . 0.3 OUTLIER -70.79 -60.08 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 1.0 111.078 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' B' ' 59' ' ' LEU . 16.3 m-85 -54.46 -28.4 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 1.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -79.47 -50.08 11.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -48.87 -40.18 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 -49.91 15.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.962 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 0.4 OUTLIER -53.87 -19.78 4.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -40.02 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 1.0 109.228 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.444 ' N ' ' C ' ' B' ' 59' ' ' LEU . 15.8 tp -111.35 133.76 21.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.96 65.38 6.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 1.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.699 ' CD2' ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.48 175.18 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . 0.418 ' N ' HD11 ' B' ' 63' ' ' LEU . . . -128.82 100.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.441 HG13 ' CG1' ' B' ' 15' ' ' VAL . 2.6 t -72.16 153.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -171.66 133.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.59 170.77 15.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.502 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.1 OUTLIER -171.6 -45.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 110.412 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.45 -97.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.485 ' HE2' ' NH2' ' B' ' 72' ' ' ARG . 0.0 OUTLIER 176.68 -178.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 1.0 110.283 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' B' ' 80' ' ' PHE . 66.4 t -122.82 142.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.485 ' NH2' ' HE2' ' B' ' 70' ' ' GLU . 0.9 OUTLIER -118.91 88.73 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.404 ' C ' ' CG2' ' B' ' 74' ' ' VAL . . . -88.47 137.6 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.484 ' CG1' HG22 ' A' ' 40' ' ' VAL . 1.6 t -148.07 -144.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' B' ' 77' ' ' GLU . . . -47.86 94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.3 OUTLIER 38.72 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 1.9 mm-40 -123.16 156.31 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.51 95.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 1.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.75 110.15 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 109.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' B' ' 99' ' ' ASP . 47.3 p90 -125.79 162.8 24.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.477 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -115.7 121.71 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 1.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' B' ' 97' ' ' PRO . 35.2 p90 -123.57 169.25 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.502 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -114.4 163.97 14.6 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 1.0 110.402 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.746 ' CG2' ' CE2' ' B' ' 86' ' ' PHE . 0.9 OUTLIER -152.64 128.92 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 1.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' B' ' 93' ' ' THR . 0.5 OUTLIER -98.87 98.41 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 1.0 110.019 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.746 ' CE2' ' CG2' ' B' ' 84' ' ' VAL . 44.0 m-85 -83.51 93.2 7.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.353 -0.239 . . . . 1.0 110.353 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.02 98.82 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 1.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' B' ' 85' ' ' SER . 1.3 m -106.09 158.68 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 1.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 1.1 t -134.72 93.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.501 ' CG2' HG12 ' B' ' 121' ' ' ILE . 65.6 t -92.07 143.24 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.429 ' N ' HG11 ' B' ' 95' ' ' VAL . . . -125.33 70.29 62.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.643 ' CB ' ' CZ ' ' B' ' 116' ' ' PHE . 18.1 Cg_endo -75.04 160.58 39.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.539 1.81 . . . . 1.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.481 ' CD1' ' HD2' ' A' ' 72' ' ' ARG . 11.7 mt -112.66 115.11 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.591 ' OD2' ' CZ ' ' B' ' 101' ' ' PHE . 1.5 t70 -86.8 145.94 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.437 ' NE2' ' OE2' ' B' ' 77' ' ' GLU . 15.7 t-160 -139.64 111.66 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.591 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 17.8 m-85 -107.28 140.13 40.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . 0.5 ' CZ ' ' OG ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -126.84 102.93 7.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 1.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' B' ' 109' ' ' VAL . 3.1 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' B' ' 103' ' ' PHE . 47.2 t -70.18 116.6 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.442 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 84.1 t -124.89 2.15 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 1.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' SER . . . . . 0.5 ' OG ' ' CZ ' ' B' ' 102' ' ' ARG . 0.6 OUTLIER -136.81 128.71 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 1.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.494 ' CE ' ' CB ' ' B' ' 34' ' ' ALA . 2.0 mpt? -141.01 134.87 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HG3' ' B' ' 37' ' ' GLU . 3.9 tmm_? -154.32 142.72 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' B' ' 39' ' ' PRO . . . -111.19 174.82 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.447 ' O ' ' NH1' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -148.86 95.8 2.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -101.49 -174.33 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.487 ' O ' ' CD1' ' B' ' 121' ' ' ILE . . . -175.18 -176.44 43.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.447 1.092 . . . . 1.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -110.52 12.39 22.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 0.788 . . . . 1.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 10.27 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.537 HD21 ' N ' ' B' ' 120' ' ' ASN . 1.2 m-80 -129.99 17.62 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 1.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.501 HG12 ' CG2' ' B' ' 95' ' ' VAL . 13.2 mt -111.42 139.01 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 1.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 1.6 m-70 -127.13 77.08 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 1.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.69 124.72 28.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . -149.36 173.37 29.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 1.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 103' ' ' PHE . 12.8 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.38 154.86 64.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' CB ' ' A' ' 73' ' ' ALA . 18.2 Cg_endo -74.99 -28.48 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 1.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -47.65 81.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 1.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -72.24 -45.02 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 1.0 109.608 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -54.29 -51.75 63.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.82 -50.18 71.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 1.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.08 -43.26 51.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.78 -50.78 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.612 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 10.8 t -52.45 -39.27 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.91 -54.77 37.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.207 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -39.19 72.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 1.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.25 -50.23 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -56.46 -55.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.182 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.56 43.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.5 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . . . -60.16 -26.63 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 tp -71.56 -53.35 14.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 1.0 109.288 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.6 -35.41 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 1.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.8 67.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.91 47.24 6.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 1.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.5 ' OD1' ' CB ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -108.07 87.36 2.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.747 . . . . 1.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 8.5 mt -63.39 -52.82 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -46.88 -47.0 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.65 -60.81 6.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.597 1.186 . . . . 1.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.597 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 2.1 mt -42.36 -39.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 1.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.579 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 74.7 t -66.06 -49.0 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.52 -12.61 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.88 -44.43 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.617 ' CD2' ' CE ' ' A' ' 112' ' ' MET . 2.6 p90 -115.83 -176.08 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 109' ' ' VAL . . . -48.55 172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 1.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 -11.0 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 1.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -121.15 9.57 10.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.5 162.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -117.56 115.58 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 1.0 110.422 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.546 HG13 ' CE2' ' A' ' 54' ' ' PHE . 3.5 t -109.2 139.78 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 109.195 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -137.9 112.16 8.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.688 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 2.6 t0 -155.22 140.01 11.96 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.688 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.07 -80.88 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.955 -2.519 . . . . 1.0 110.95 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.473 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -155.78 151.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 1.0 109.246 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.601 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 160.37 -60.94 0.3 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.6 m 151.19 68.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 1.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.93 80.92 0.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 176.6 9.71 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 1.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . 4.6 mtp180 -142.82 106.96 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.41 129.48 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 50' ' ' ALA . . . 112.62 122.86 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.459 1.1 . . . . 1.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.29 -28.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 1.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -63.4 -52.97 59.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 45' ' ' ARG . . . -69.17 -36.5 77.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 30' ' ' PHE . 36.3 mt -57.83 -49.81 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' CG ' HG22 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -62.68 -47.86 81.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 1.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -43.86 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 1.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -69.27 -68.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.0 110.956 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.466 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 8.4 m-85 -44.19 -26.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.07 -57.62 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -56.57 -18.92 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t -80.13 -62.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.83 -17.68 17.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 1.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -23.99 2.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 1.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 tp -87.83 122.44 70.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -155.37 -178.85 7.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.506 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . -121.26 147.23 45.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.9 t -124.62 139.44 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -156.95 149.84 23.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.438 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 2.5 mt -85.07 178.49 7.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.489 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER 174.16 -33.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 1.5 tm0? -74.59 -78.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.54 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER 161.81 -173.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 1.0 110.254 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.489 ' O ' ' CZ ' ' A' ' 72' ' ' ARG . 57.6 t -127.72 148.53 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.512 ' CZ ' ' ND2' ' B' ' 120' ' ' ASN . 1.4 tpp180 -125.13 87.13 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 110.274 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -85.8 127.2 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.469 ' CG2' ' HA2' ' B' ' 117' ' ' GLY . 0.3 OUTLIER 179.92 158.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.447 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . 51.17 54.85 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ALA . 40.8 m-20 39.64 30.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 3.1 mt-10 -141.86 128.86 20.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -100.17 106.64 18.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.513 ' HB1' ' CE1' ' A' ' 100' ' ' HIS . . . -110.77 100.46 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.637 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 19.0 p90 -118.15 159.67 22.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 1.0 110.977 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.593 ' CB ' ' CG1' ' A' ' 98' ' ' ILE . . . -123.47 138.26 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 3.0 p90 -140.81 -176.26 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.489 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -120.58 164.28 16.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.0 110.453 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.485 HG11 ' CD ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -145.89 123.22 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.61 112.65 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 95' ' ' VAL . 4.4 p90 -142.44 137.6 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 1.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 1.0 110.254 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 125' ' ' ALA . 17.9 tttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.534 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 13.0 m -157.52 144.03 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 1.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 1.4 p -126.65 113.85 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.573 HG22 ' CE1' ' A' ' 86' ' ' PHE . 97.7 t -97.34 158.27 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 1.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -129.35 75.73 79.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.58 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.01 169.45 22.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.593 ' CG1' ' CB ' ' A' ' 81' ' ' ALA . 2.2 mt -136.34 141.98 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -118.46 131.37 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -120.6 82.86 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 1.0 109.644 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -68.41 147.02 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 1.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.37 102.71 8.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.321 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.733 ' CZ ' ' CG2' ' A' ' 109' ' ' VAL . 1.3 m-85 -91.26 124.68 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 1.5 m120 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.9 mttt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.733 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 21.5 t -40.83 116.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 1.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.536 ' O ' ' CG1' ' A' ' 110' ' ' VAL . 29.9 t -136.38 13.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.01 160.74 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 110.026 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.617 ' CE ' ' CD2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -166.67 124.82 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -112.21 120.92 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 1.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -99.56 162.25 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.17 121.07 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 117' ' ' GLY . 0.5 OUTLIER -160.17 173.52 15.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.068 . . . . 1.0 111.044 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.566 ' N ' ' CD1' ' A' ' 116' ' ' PHE . . . 80.75 177.84 51.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 1.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 119' ' ' LYS . 3.2 mt-10 61.79 63.1 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.603 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 96.59 -23.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.429 ' HB2' ' N ' ' A' ' 117' ' ' GLY . 0.2 OUTLIER -69.42 -9.33 53.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.476 ' CD1' ' HA2' ' A' ' 117' ' ' GLY . 0.9 OUTLIER -98.73 139.45 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 123' ' ' ALA . 88.0 m-70 -135.17 92.98 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 1.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 122' ' ' HIS . . . -49.14 176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' ALA . . . 168.88 172.78 36.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 1.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.534 0.207 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.62 113.66 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -126.59 155.53 74.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -21.51 15.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 41.0 tp10 -68.18 -47.72 67.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -75.0 -42.53 57.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 1.0 109.632 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.43 ' HA ' ' CZ ' ' B' ' 103' ' ' PHE . 0.1 OUTLIER -61.24 -56.55 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -62.4 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 1.0 110.475 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -54.11 -41.24 68.1 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.417 1.073 . . . . 1.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.17 -51.81 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' B' ' 80' ' ' PHE . 2.5 t -51.56 -43.15 31.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -62.59 -46.35 88.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -40.31 85.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.26 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.4 ' CE2' ' HZ ' ' B' ' 101' ' ' PHE . 76.3 t80 -63.37 -45.38 91.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.87 -52.49 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.35 -37.98 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.483 ' O ' ' CD2' ' B' ' 59' ' ' LEU . 16.2 tp -64.65 -51.6 61.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 1.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.36 -49.66 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.44 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.79 47.59 19.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 1.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -96.67 106.92 19.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 1.0 109.228 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' B' ' 52' ' ' ARG . 0.1 OUTLIER -73.64 -58.51 3.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.0 -32.33 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 1.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -72.27 -70.15 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.605 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 7.7 mt -45.02 -36.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.766 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.612 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 14.8 t -71.02 -41.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 1.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.59 -10.55 59.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -63.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.612 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 43.1 p90 -90.04 -176.14 4.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.437 ' O ' ' CD1' ' B' ' 30' ' ' PHE . . . -56.53 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' B' ' 48' ' ' THR . 0.3 OUTLIER -110.23 -14.42 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.401 1.063 . . . . 1.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -115.58 4.49 14.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -51.5 175.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.459 HG23 ' CB ' ' B' ' 46' ' ' SER . 71.7 p -131.79 137.28 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 1.0 110.378 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.54 HG13 ' CE2' ' B' ' 54' ' ' PHE . 21.2 t -110.89 147.56 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 1.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 3.1 mt-10 -140.52 94.54 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.494 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 5.3 m-20 -141.88 131.01 12.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.494 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.04 -68.83 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.994 -2.502 . . . . 1.0 110.962 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.432 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.4 OUTLIER -150.48 143.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 1.0 109.349 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.8 26.09 2.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 1.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.484 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 22.8 t -106.37 50.28 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 1.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.402 ' HB3' ' NH2' ' B' ' 45' ' ' ARG . 1.0 OUTLIER 53.15 92.82 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 110.276 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.464 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -74.96 143.84 29.69 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.402 ' NH2' ' HB3' ' B' ' 43' ' ' GLU . 6.9 mmp_? -97.03 155.15 16.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.459 ' CB ' HG23 ' B' ' 35' ' ' THR . 51.5 p -138.84 104.26 5.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 1.0 110.053 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.51 141.35 4.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -58.91 -15.52 13.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 1.0 110.38 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.73 -66.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.91 -26.3 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.587 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 10.8 mt -72.19 -42.18 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 1.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' B' ' 23' ' ' LEU . 0.0 OUTLIER -64.06 -46.24 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.83 -38.26 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' B' ' 36' ' ' VAL . 4.5 t80 -66.24 -49.78 66.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.514 ' CE2' HG21 ' B' ' 51' ' ' ILE . 3.9 m-85 -59.33 -59.37 5.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.427 ' CB ' HD13 ' B' ' 23' ' ' LEU . . . -51.0 -52.21 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' B' ' 60' ' ' LYS . 25.9 t-20 -54.05 -37.2 63.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -65.44 -59.76 3.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.949 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' B' ' 18' ' ' LEU . 1.2 mt -57.09 -18.69 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 3.6 ttpp -44.77 -26.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.414 ' N ' ' C ' ' B' ' 59' ' ' LEU . 11.3 tp -87.3 127.78 57.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 1.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 60.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 1.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -107.35 -176.68 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.22 159.22 42.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' B' ' 82' ' ' PHE . 53.8 t -133.2 147.04 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.41 ' N ' HG11 ' B' ' 65' ' ' VAL . 1.2 tt0 -157.9 130.95 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.1 131.71 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.432 HG23 ' CG2' ' B' ' 83' ' ' THR . 2.8 t -142.76 14.95 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.457 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -140.15 -172.3 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.49 171.82 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 58.3 t -127.24 109.04 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.534 ' HB2' ' CB ' ' B' ' 79' ' ' ALA . 9.9 mtm180 -69.43 59.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' B' ' 77' ' ' GLU . . . -83.14 91.05 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 1.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.463 HG21 ' CG ' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -160.6 152.97 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.456 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . 55.0 58.81 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 1.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 76' ' ' ASN . 0.3 OUTLIER 44.33 25.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 1.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' B' ' 73' ' ' ALA . 1.5 tt0 -122.84 159.16 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.85 87.72 1.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.534 ' CB ' ' HB2' ' B' ' 72' ' ' ARG . . . -105.38 85.85 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.669 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 42.4 p90 -105.02 157.87 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.457 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -109.04 136.58 48.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' B' ' 97' ' ' PRO . 45.8 p90 -142.11 165.32 27.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.432 ' CG2' HG23 ' B' ' 68' ' ' THR . 0.1 OUTLIER -104.76 156.56 17.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 110.431 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.468 HG11 ' CD ' ' B' ' 97' ' ' PRO . 0.6 OUTLIER -134.43 125.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.246 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.9 m -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' B' ' 95' ' ' VAL . 0.5 OUTLIER -161.49 146.97 13.76 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 1.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.282 -0.266 . . . . 1.0 110.282 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -80.05 156.21 27.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 27.0 m -157.13 149.15 22.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.406 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -129.47 119.14 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' B' ' 116' ' ' PHE . 40.8 t -99.48 166.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.455 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -140.15 70.66 34.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.568 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 166.69 28.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.787 . . . . 1.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.502 ' CG2' ' NH2' ' B' ' 72' ' ' ARG . 17.2 mt -116.12 115.55 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.669 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.5 m-20 -85.38 119.18 25.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -119.43 109.35 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.617 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 101' ' ' PHE . 6.2 m-30 -116.05 132.22 56.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 1.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -110.98 103.92 12.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.489 ' HB3' ' CG2' ' B' ' 109' ' ' VAL . 2.6 p90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 1.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 15.3 mttp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' B' ' 103' ' ' PHE . 2.6 t -112.81 117.04 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.518 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 95.7 t -122.12 -5.07 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -134.14 137.67 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 1.0 109.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.587 ' CE ' ' CD1' ' B' ' 30' ' ' PHE . 1.6 mtt -151.16 136.03 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -146.67 170.36 17.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.32 97.11 2.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.466 ' CD1' ' NE2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -72.98 97.03 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 1.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' B' ' 95' ' ' VAL . 0.9 OUTLIER -116.63 114.37 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' B' ' 116' ' ' PHE . . . -99.32 173.26 26.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' B' ' 118' ' ' GLU . 7.0 tt0 -97.63 23.13 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 1.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . 0.412 ' C ' ' NH1' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -123.33 15.78 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.512 ' ND2' ' CZ ' ' A' ' 72' ' ' ARG . 3.3 t-20 -130.5 43.08 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.402 HG21 ' N ' ' B' ' 122' ' ' HIS . 4.5 mt -129.49 140.66 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . 0.402 ' N ' HG21 ' B' ' 121' ' ' ILE . 5.5 m-70 -135.34 111.68 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.72 168.03 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.1 173.31 38.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 1.0 109.318 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 m120 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.3 p -100.17 155.57 36.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 110.308 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -36.26 2.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 1.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.65 -44.42 96.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.442 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 8.1 t60 -68.83 -47.75 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 1.0 109.591 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -54.33 -53.8 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -57.5 -47.32 82.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.435 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 6' ' ' HIS . 93.5 t -64.39 -42.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.581 HG12 ' CD1' ' A' ' 80' ' ' PHE . 8.0 t -57.94 -54.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.263 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -52.47 -44.89 65.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 1.0 110.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.12 98.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.68 -44.6 93.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.05 -62.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.49 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 1.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.31 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 1.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.93 -55.63 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -19.32 63.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.5 -15.48 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.89 39.31 97.35 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.56 1.163 . . . . 1.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 10.1 m-20 -95.22 90.57 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 1.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 15.2 mt -68.97 -43.58 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.29 -52.87 63.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.67 -61.54 6.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.585 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 36.3 mt -44.77 -36.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 4.8 t -68.92 -43.14 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -69.65 -14.41 62.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 1.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.64 -67.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 1.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 24.1 p90 -87.38 -175.6 5.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 1.183 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' PHE . . . -52.17 -176.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.475 ' O ' ' CG2' ' A' ' 48' ' ' THR . 0.0 OUTLIER -106.42 -19.62 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 p30 -121.35 22.34 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -60.74 168.08 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.6 p -119.35 110.23 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 1.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' A' ' 51' ' ' ILE . 48.9 t -89.68 139.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -137.92 66.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 1.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.638 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -136.79 131.92 18.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 1.0 109.343 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.638 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.98 -83.21 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.019 -2.492 . . . . 1.0 111.028 -0.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.475 HG13 ' CB ' ' B' ' 75' ' ' ALA . 0.1 OUTLIER -153.36 -173.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 1.0 109.377 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.47 29.92 1.99 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.2 p 47.68 54.31 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 1.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -144.15 62.91 10.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 1.0 110.236 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.98 161.72 38.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 1.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -142.54 134.1 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -117.42 142.42 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.037 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.52 141.29 10.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 1.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 4.1 p -58.25 -16.31 13.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 1.0 110.409 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.87 -67.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 1.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 45' ' ' ARG . . . -61.63 -25.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.552 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 3.7 mt -69.57 -68.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -55.67 -32.63 63.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.68 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 38' ' ' ASP . 5.2 t80 -56.07 -53.6 55.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -48.7 -40.8 29.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 1.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.69 31.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -46.59 -40.49 12.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 1.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -52.18 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.452 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -54.67 -19.68 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -41.02 -29.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 109.355 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.452 ' N ' ' C ' ' A' ' 59' ' ' LEU . 10.0 tp -92.09 112.43 54.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 1.0 109.368 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 53.65 3.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 1.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -90.06 -177.12 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.353 1.033 . . . . 1.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.522 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . -119.82 146.75 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.5 t -131.8 139.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -153.92 158.7 41.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.28 158.22 21.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 1.0 109.243 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 15.2 t -174.95 34.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.552 1.158 . . . . 1.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 1.3 tm0? -149.7 -75.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.537 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.5 OUTLIER 162.41 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 1.0 110.305 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.495 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 87.4 t -134.67 135.25 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.552 ' CZ ' ' ND2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -113.22 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 7' ' ' MET . . . -89.58 109.16 20.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -163.25 161.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 1.0 109.365 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' CB ' HG13 ' B' ' 40' ' ' VAL . . . 57.49 50.56 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.2 OUTLIER 42.63 28.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 6.9 pt-20 -145.11 142.35 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 11' ' ' VAL . . . -104.63 122.26 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.466 ' CB ' HD23 ' B' ' 115' ' ' LEU . . . -127.92 103.23 7.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.657 ' CE1' ' CB ' ' A' ' 99' ' ' ASP . 29.8 p90 -122.36 173.44 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.535 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -133.65 137.84 45.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 6.4 p90 -144.17 -179.07 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 1.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.96 167.77 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 1.0 110.413 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.475 HG11 ' CD ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -146.55 123.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.73 125.15 45.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 1.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.535 ' CE2' ' HB ' ' A' ' 93' ' ' THR . 2.8 p90 -146.93 123.6 11.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.319 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 124' ' ' GLY . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.535 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 38.8 m -118.5 142.44 47.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 110.362 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -126.4 117.84 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.437 HG22 ' CE1' ' A' ' 86' ' ' PHE . 90.7 t -100.42 163.63 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 1.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -133.26 76.84 67.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.475 ' CD ' HG11 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.07 156.88 42.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.435 1.755 . . . . 1.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.549 ' CG2' ' NH2' ' B' ' 72' ' ' ARG . 6.5 mt -119.66 120.97 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.657 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -95.09 139.97 30.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 1.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.544 ' C ' ' CD2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -156.25 106.54 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 78' ' ' ALA . 1.1 p90 -134.48 154.07 51.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.443 ' HG2' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -118.01 139.89 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 7' ' ' MET . 3.6 p90 -149.35 164.07 35.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 1.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 109.22 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.474 HG21 ' CB ' ' A' ' 103' ' ' PHE . 2.0 t -86.52 123.02 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.492 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 57.4 t -118.52 -0.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.98 127.37 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.569 ' CE ' ' CG ' ' A' ' 30' ' ' PHE . 1.6 mtt -143.2 138.66 29.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 2.1 ptm180 -144.39 140.63 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . . . -139.92 136.22 33.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.49 ' CB ' ' HD3' ' B' ' 72' ' ' ARG . 6.2 mp -120.59 133.88 55.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -147.77 177.97 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.484 ' HA2' ' CD1' ' A' ' 121' ' ' ILE . . . 68.63 -177.61 26.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 119' ' ' LYS . 0.3 OUTLIER 65.55 64.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 1.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 89.48 -17.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 1.0 109.266 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.413 ' HB2' ' N ' ' A' ' 117' ' ' GLY . 2.7 m-80 -73.85 -11.99 60.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.484 ' CD1' ' HA2' ' A' ' 117' ' ' GLY . 0.7 OUTLIER -94.82 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -134.44 89.98 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 1.0 109.564 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.64 159.44 21.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . 179.71 179.22 48.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.498 0.763 . . . . 1.0 109.211 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.54 0.21 . . . . 1.0 111.075 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' B' ' 76' ' ' ASN . 22.7 m-20 -139.19 60.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.4 p -96.25 155.36 38.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 1.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.89 3.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -66.03 -41.74 90.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 110.185 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -71.59 -44.38 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 109.575 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtm -59.37 -58.97 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -58.37 -49.82 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -52.73 -45.02 66.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.86 -47.14 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.535 HG23 ' CE1' ' B' ' 80' ' ' PHE . 18.9 t -55.63 -38.9 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -62.92 -60.34 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ttp-105 -52.52 -34.16 48.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -67.86 -56.37 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.71 -46.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 1.0 109.279 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.97 -60.32 3.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.29 -28.38 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 1.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 14.4 tp -71.58 -57.94 3.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 1.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.86 -17.22 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 1.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.72 -29.38 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.55 55.3 4.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 1.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' B' ' 22' ' ' ASP . 0.9 OUTLIER -112.65 66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 0.763 . . . . 1.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 10.6 mt -43.85 -38.17 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -60.24 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.189 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.12 -59.63 10.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' B' ' 18' ' ' LEU . 48.9 mt -42.14 -37.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.452 0.736 . . . . 1.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.567 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.0 t -68.62 -49.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -62.03 -14.59 37.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 1.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -54.01 51.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 24.7 p90 -102.11 -178.82 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.95 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.478 ' O ' ' CG2' ' B' ' 48' ' ' THR . 3.4 t70 -103.03 -17.68 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 1.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.92 21.31 11.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.93 -178.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 1.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.5 p -134.38 117.49 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 1.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' B' ' 51' ' ' ILE . 98.4 t -93.11 145.28 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 1.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.47 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 4.1 mp0 -128.07 65.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.596 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 0.2 OUTLIER -110.17 138.86 20.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 1.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' B' ' 114' ' ' ALA . 18.5 Cg_endo -74.99 -38.81 1.64 Allowed 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.996 -2.501 . . . . 1.0 111.019 -0.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.484 HG23 ' CG1' ' A' ' 74' ' ' VAL . 2.2 t -128.36 -174.77 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.39 -18.11 9.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.447 1.092 . . . . 1.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 7.2 t -82.19 50.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.4 mt-10 160.51 70.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.444 ' O ' ' NE ' ' B' ' 45' ' ' ARG . 18.6 Cg_endo -75.05 154.64 42.41 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.472 1.774 . . . . 1.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.57 ' HD3' ' CD1' ' B' ' 54' ' ' PHE . 0.0 OUTLIER -151.86 96.57 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.9 p -96.6 139.4 32.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 1.0 110.036 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.7 146.58 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 1.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 1.9 p -60.13 -14.61 17.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 1.0 110.401 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.71 -66.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.25 73.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.554 HG22 ' CE1' ' B' ' 30' ' ' PHE . 25.1 mt -63.94 -66.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -56.85 -30.55 63.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 1.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.0 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 1.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 1.8 t80 -60.39 -54.68 42.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 1.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.463 ' OH ' ' CE ' ' B' ' 112' ' ' MET . 0.2 OUTLIER -46.83 -39.66 12.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 1.0 110.982 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -50.57 57.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.29 -19.02 53.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -81.43 -69.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' B' ' 18' ' ' LEU . 0.6 OUTLIER -56.03 -18.88 10.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 1.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.42 ' N ' ' C ' ' B' ' 59' ' ' LEU . 10.8 tp -91.44 135.74 27.66 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 1.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.06 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 1.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.6 178.32 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 1.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.83 104.4 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.519 HG12 ' CE2' ' B' ' 82' ' ' PHE . 4.1 t -84.29 142.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 1.0 109.197 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -159.98 138.08 10.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 1.0 110.339 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -75.11 141.11 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.464 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 2.2 t -155.99 23.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.484 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 6.5 mt-30 -134.39 -78.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.47 170.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 89.3 t -119.1 136.53 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.549 ' NH2' ' CG2' ' A' ' 98' ' ' ILE . 6.8 ttm180 -111.2 92.52 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.512 ' O ' ' CG2' ' B' ' 74' ' ' VAL . . . -93.74 127.82 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 109.374 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' B' ' 73' ' ' ALA . 2.1 t -170.54 146.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.303 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.475 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . 49.05 67.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' B' ' 76' ' ' ASN . 3.2 p-10 38.78 30.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 2.4 tt0 -125.6 160.23 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -148.52 100.64 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.561 ' HB1' ' CE1' ' B' ' 100' ' ' HIS . . . -113.8 101.74 9.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.611 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 49.7 p90 -112.9 162.27 16.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 1.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.471 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -117.24 130.95 56.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.519 ' CE2' HG12 ' B' ' 65' ' ' VAL . 46.8 p90 -138.53 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 1.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.464 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -106.18 164.52 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 1.0 110.44 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -140.09 116.83 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -91.04 124.91 35.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 110.077 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.1 OUTLIER -167.69 146.01 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 111.021 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 110.31 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.305 -0.258 . . . . 1.0 110.305 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.402 ' C ' ' OG1' ' B' ' 93' ' ' THR . 0.0 OUTLIER -76.38 156.76 32.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 1.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.543 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 14.2 m -157.26 151.41 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 1.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -136.22 122.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 1.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.475 ' CG2' HG13 ' B' ' 121' ' ' ILE . 31.5 t -102.95 165.82 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 1.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -137.19 68.47 55.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.535 ' HB3' ' CG ' ' B' ' 116' ' ' PHE . 18.4 Cg_endo -74.97 169.66 22.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 37.8 mt -121.42 122.9 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -96.24 143.01 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.6 OUTLIER -132.77 128.3 36.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.604 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.518 ' CD2' HG21 ' B' ' 11' ' ' VAL . 20.6 m-85 -117.38 144.79 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 1.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . 0.419 ' CG ' ' HG3' ' B' ' 77' ' ' GLU . 5.8 mtp180 -127.9 116.08 19.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' B' ' 109' ' ' VAL . 23.0 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 1.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' B' ' 103' ' ' PHE . 39.3 t -81.35 116.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 1.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 64.5 t -117.49 -7.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 1.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.1 134.88 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.463 ' CE ' ' OH ' ' B' ' 55' ' ' TYR . 5.3 ttp -146.77 142.4 27.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 1.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.47 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 2.8 mtt180 -155.1 162.92 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' B' ' 39' ' ' PRO . . . -136.09 179.88 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -152.92 99.28 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.364 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.535 ' CG ' ' HB3' ' B' ' 97' ' ' PRO . 6.3 m-85 -106.68 130.03 54.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -110.27 177.19 19.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 1.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -105.81 -14.56 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 1.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -99.47 17.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.552 ' ND2' ' CZ ' ' A' ' 72' ' ' ARG . 2.2 t-20 -123.35 39.14 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.7 mp -130.29 153.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -142.46 111.82 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.53 164.7 17.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 1.0 109.389 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.39 42.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 1.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 1.0 109.318 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.322 -0.622 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -124.12 155.52 67.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 1.0 110.336 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -32.0 5.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 1.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.24 -53.55 42.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.199 . . . . 1.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -65.27 -41.41 94.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.3 mtm -57.95 -57.98 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -54.92 -42.11 71.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.89 95.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -65.9 -30.14 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.423 ' N ' HG11 ' A' ' 10' ' ' VAL . 98.9 t -67.4 -44.63 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -46.51 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.78 90.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.0 110.252 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -60.7 -54.07 49.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 1.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.16 -56.38 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.61 -47.25 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.69 96.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 1.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.07 -53.88 53.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -60.99 -27.85 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -15.23 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 69.52 27.88 72.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 1.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.472 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 13.6 t0 -84.21 85.55 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -62.96 -37.02 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -61.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -43.18 26.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.599 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 52.2 mt -65.93 -44.63 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.606 0.827 . . . . 1.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 15.6 t -63.78 -20.35 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.44 -24.9 18.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -42.07 67.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 1.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 3.7 p90 -114.57 178.23 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 1.0 111.062 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' CB ' HG23 ' A' ' 110' ' ' VAL . . . -45.48 169.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 1.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.474 ' O ' ' CG2' ' A' ' 48' ' ' THR . 1.4 m-20 -96.16 -17.11 21.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -120.17 32.22 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -80.51 175.67 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.455 HG21 ' CB ' ' A' ' 46' ' ' SER . 9.6 p -130.92 136.5 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 1.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 51' ' ' ILE . 13.6 t -113.2 141.98 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -127.3 94.49 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.518 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -141.26 121.72 8.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 1.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.518 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -75.04 -80.01 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.948 -2.522 . . . . 1.0 110.998 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.524 ' CG1' ' CB ' ' B' ' 75' ' ' ALA . 0.2 OUTLIER -152.49 151.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . -168.61 -73.5 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.7 p 156.64 51.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 0.75 . . . . 1.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 42' ' ' SER . 0.1 OUTLIER 164.62 88.16 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 1.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.0 148.76 35.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 1.0 111.053 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.566 ' HD2' ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -74.03 113.44 11.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 110.343 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.455 ' CB ' HG21 ' A' ' 35' ' ' THR . 78.3 p -99.4 141.92 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 1.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 123.85 5.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.437 1.085 . . . . 1.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 7.7 p -41.37 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 1.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -55.62 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 45' ' ' ARG . . . -63.85 -49.03 74.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 36' ' ' VAL . 8.8 mt -51.22 -52.4 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 1.9 tmm_? -63.66 -34.98 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 1.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -50.17 69.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 1.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HD2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -69.59 -61.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 111.029 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.468 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 11.2 m-85 -49.66 -22.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -80.85 -67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -50.65 -22.95 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 1.0 109.252 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m -80.0 -56.61 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 1.5 mt -55.99 -19.78 13.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -52.21 -22.01 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.6 139.86 21.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 1.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -94.38 132.59 38.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 1.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.432 ' N ' HD21 ' A' ' 63' ' ' LEU . . . -109.06 103.85 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 63' ' ' LEU . 2.2 t -94.0 147.13 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' N ' HG11 ' A' ' 65' ' ' VAL . 12.1 pt-20 -164.74 137.63 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 80' ' ' PHE . 1.6 mt -67.57 156.33 37.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 1.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.501 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.2 t 179.68 51.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -156.19 -85.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 1.0 110.327 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.446 ' CD ' ' NH1' ' A' ' 72' ' ' ARG . 3.2 pt-20 -171.1 168.03 6.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.491 1.12 . . . . 1.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.548 ' CG1' ' O ' ' A' ' 79' ' ' ALA . 98.1 t -131.31 122.13 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' NH1' ' CD ' ' A' ' 70' ' ' GLU . 8.6 mpt_? -99.06 103.0 14.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -101.96 120.57 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.477 ' CG1' HG22 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -178.71 156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . 54.84 55.95 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER 39.05 30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.353 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' ALA . 4.9 mt-10 -138.7 123.91 19.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 1.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -106.81 130.42 54.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -124.25 165.97 16.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 1.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 11.6 p90 -174.52 150.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 67' ' ' LEU . . . -107.16 119.52 39.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.186 . . . . 1.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.433 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 49.2 p90 -122.73 165.85 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -105.99 159.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -134.67 115.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.61 112.27 24.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 1.0 110.035 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -152.95 149.45 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 1.0 110.238 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.401 ' C ' ' OG1' ' A' ' 93' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.465 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 10.1 m -156.94 144.84 19.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -127.81 114.86 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 116' ' ' PHE . 16.3 t -97.22 167.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -139.84 66.52 33.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.486 ' CD ' HG11 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.07 163.82 34.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.547 1.814 . . . . 1.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 100' ' ' HIS . 15.9 mt -112.04 148.67 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 4.8 m-20 -128.02 141.45 51.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -150.94 133.09 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.472 ' HB3' ' CB ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -140.1 156.88 46.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 59.2 ttt180 -108.58 159.66 16.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 1.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 13.2 m-85 -125.75 152.04 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 23.7 t -75.55 120.94 26.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.482 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 74.1 t -118.82 -4.18 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 1.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.01 139.63 21.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 1.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 101' ' ' PHE . 24.0 ptp -154.16 151.09 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -142.82 172.44 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . . . -147.07 107.32 4.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 100' ' ' HIS . 0.6 OUTLIER -81.37 91.15 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -109.14 88.86 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 1.0 110.942 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.29 -170.87 37.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.9 44.48 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 1.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.404 ' C ' ' OD1' ' A' ' 120' ' ' ASN . 4.6 ptmt -141.57 15.07 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.493 ' HB2' ' CZ ' ' B' ' 72' ' ' ARG . 0.9 OUTLIER -131.61 40.91 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.465 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 2.2 mt -119.66 140.2 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 1.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -134.65 98.89 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 1.0 109.607 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.49 175.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 1.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.55 173.69 37.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 1.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 109.315 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.19 . . . . 1.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 175.42 124.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 1.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.553 HG22 ' CD2' ' B' ' 6' ' ' HIS . 0.7 OUTLIER -139.29 150.38 64.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 1.0 110.395 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' OG1' ' B' ' 3' ' ' THR . 18.1 Cg_endo -75.07 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -46.55 86.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 1.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.553 ' CD2' HG22 ' B' ' 3' ' ' THR . 11.8 m170 -70.19 -48.65 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 1.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.418 ' CE ' ' HB2' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -50.9 -49.26 59.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -63.01 -51.34 67.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.82 -40.03 59.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 1.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.35 -40.17 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 1.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' B' ' 80' ' ' PHE . 3.4 t -59.49 -46.69 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -55.67 31.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -55.94 -39.91 72.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.432 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 39.2 t80 -64.03 -45.44 88.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.675 ' CG2' ' CE2' ' B' ' 82' ' ' PHE . 60.7 t -63.23 -66.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.41 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.268 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.74 78.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.454 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 45.3 tp -53.31 -54.15 40.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -60.58 -30.76 70.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 1.0 109.219 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.79 -16.68 61.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 1.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 74.43 29.27 62.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.61 1.194 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.497 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 15.5 t0 -88.24 82.24 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 1.1 mt -61.78 -51.39 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 1.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.41 ' HA ' ' NH1' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -59.31 -62.04 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.72 -42.55 21.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 1.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 38.2 mt -63.65 -41.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 0.702 . . . . 1.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.563 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 79.6 t -65.09 -26.11 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.76 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -55.89 -44.2 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.4 p90 -113.28 -175.21 2.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 1.0 110.968 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -44.15 166.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.484 ' O ' ' CG2' ' B' ' 48' ' ' THR . 44.0 m-20 -89.33 -19.39 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 1.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -121.91 15.32 10.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' B' ' 110' ' ' VAL . . . -42.43 163.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.2 p -125.97 109.7 12.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' B' ' 51' ' ' ILE . 18.5 t -88.0 157.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 3.0 mt-10 -154.26 76.3 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.45 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -138.63 152.64 71.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.617 1.198 . . . . 1.0 109.299 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.475 ' C ' ' CG2' ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.047 -2.481 . . . . 1.0 110.983 0.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.477 HG22 ' CG1' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -164.2 -176.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.91 28.65 30.95 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.497 1.123 . . . . 1.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 99.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 0.721 . . . . 1.0 109.984 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.416 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 0.6 OUTLIER -161.18 63.57 1.76 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -75.03 153.65 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.779 . . . . 1.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' B' ' 54' ' ' PHE . 3.0 ptt180 -154.25 98.93 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -95.57 134.01 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 142.36 11.33 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.521 1.138 . . . . 1.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 40.1 p -56.47 -17.28 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -69.7 -57.69 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.444 ' HB3' ' CB ' ' B' ' 45' ' ' ARG . . . -66.43 -38.11 86.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.536 HG21 ' CD1' ' B' ' 55' ' ' TYR . 59.1 mt -63.18 -65.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' B' ' 24' ' ' ASP . 0.5 OUTLIER -53.97 -38.17 64.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 1.0 110.339 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 3.8 mm-40 -55.29 -56.12 23.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 1.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.634 ' CG ' ' CZ ' ' B' ' 45' ' ' ARG . 7.6 t80 -67.25 -60.05 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.536 ' CD1' HG21 ' B' ' 51' ' ' ILE . 9.7 m-85 -44.16 -30.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.38 -52.41 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -53.15 -29.7 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 -55.22 5.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.443 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.4 OUTLIER -55.15 -19.4 7.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 1.0 109.359 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.74 -28.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' B' ' 87' ' ' GLU . 12.2 tp -105.4 138.83 19.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.427 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.99 54.73 3.73 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.6 1.842 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -79.1 -176.53 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.03 156.38 44.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.458 1.099 . . . . 1.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -141.6 140.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -161.35 137.86 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.772 ' CD1' ' CZ ' ' B' ' 82' ' ' PHE . 0.8 OUTLIER -71.2 167.62 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.595 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.4 OUTLIER -165.45 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 1.0 110.365 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' B' ' 70' ' ' GLU . 3.9 mp0 -77.24 -84.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.453 ' CD ' ' ND2' ' A' ' 120' ' ' ASN . 0.1 OUTLIER 176.48 -177.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 110.296 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.575 HG12 ' CD1' ' B' ' 80' ' ' PHE . 21.8 t -129.03 123.93 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 120' ' ' ASN . 3.7 mmt180 -102.24 95.47 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -95.38 121.1 36.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 0.4 OUTLIER -177.33 167.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.524 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . 51.51 45.77 27.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.32 37.96 12.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.604 ' OE1' ' CD2' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -147.52 169.53 19.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.499 ' O ' ' CE1' ' B' ' 80' ' ' PHE . . . -141.79 105.7 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.45 103.95 13.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.651 ' CE2' ' CB ' ' B' ' 99' ' ' ASP . 0.1 OUTLIER -116.54 163.56 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.494 ' HB3' ' CG1' ' B' ' 98' ' ' ILE . . . -118.54 108.95 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 1.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.772 ' CZ ' ' CD1' ' B' ' 67' ' ' LEU . 18.3 m-85 -107.88 168.68 9.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.595 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -120.67 121.76 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 1.0 110.361 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.694 ' CG2' ' CE1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -99.35 167.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' B' ' 93' ' ' THR . 2.4 t -152.03 110.94 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.694 ' CE1' ' CG2' ' B' ' 84' ' ' VAL . 7.3 m-30 -101.35 172.86 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.107 . . . . 1.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 22.2 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 110.247 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.26 -0.274 . . . . 1.0 110.26 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -131.42 121.89 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' B' ' 123' ' ' ALA . 1.2 m -124.02 155.45 38.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 1.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.3 OUTLIER -141.04 126.5 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 1.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.488 ' CG2' HG12 ' B' ' 121' ' ' ILE . 13.4 t -113.22 170.12 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.66 63.66 21.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.505 ' HG3' ' CE2' ' B' ' 116' ' ' PHE . 18.6 Cg_endo -74.93 167.56 26.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 1.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.494 ' CG1' ' HB3' ' B' ' 81' ' ' ALA . 1.9 mt -118.99 125.21 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 1.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.651 ' CB ' ' CE2' ' B' ' 80' ' ' PHE . 11.8 m-20 -95.92 125.04 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.604 ' CD2' ' OE1' ' B' ' 77' ' ' GLU . 1.9 t-80 -116.48 99.43 7.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.565 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CD2' ' HZ ' ' B' ' 80' ' ' PHE . 10.6 m-30 -89.75 165.57 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 1.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.92 120.76 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.692 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.692 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 12.9 t -90.44 120.54 39.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' B' ' 34' ' ' ALA . 91.4 t -120.59 -75.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 134.83 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 1.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.45 ' O ' ' N ' ' B' ' 37' ' ' GLU . 0.6 OUTLIER -160.69 132.94 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -140.34 174.97 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 1.0 110.339 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' B' ' 38' ' ' ASP . . . -132.9 170.27 15.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.46 ' HG ' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -147.52 105.28 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 5.9 m-85 -100.67 -175.96 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' B' ' 121' ' ' ILE . . . -168.13 174.72 43.0 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 1.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -27.28 17.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 0.701 . . . . 1.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.7 15.67 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.404 ' O ' HG11 ' B' ' 95' ' ' VAL . 24.0 m120 -124.61 10.93 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.488 HG12 ' CG2' ' B' ' 95' ' ' VAL . 16.1 mt -117.66 139.41 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -136.83 98.75 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 1.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . 0.479 ' CB ' ' OG1' ' B' ' 93' ' ' THR . . . -96.75 145.88 25.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.389 1.056 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.47 179.19 43.39 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 1.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.571 0.806 . . . . 1.0 109.289 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.454 ' ND2' ' CD2' ' A' ' 103' ' ' PHE . 10.2 t-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.472 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -140.69 156.15 69.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.419 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.0 -40.61 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 1.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -63.39 -28.36 69.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 10.6 t-160 -77.82 -66.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.629 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' ' 3' ' ' THR . 1.0 OUTLIER -51.04 -41.07 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 73' ' ' ALA . 75.4 m -69.45 -45.02 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -59.04 -36.72 75.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 14' ' ' TYR . 25.5 t -69.53 -39.78 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.649 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 3.1 t -58.47 -42.36 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 1.0 109.275 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 1.0 110.33 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.13 -32.66 10.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 18.8 t80 -63.89 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 1.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.631 ' CG2' ' CZ ' ' A' ' 82' ' ' PHE . 2.7 t -45.85 -45.3 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.8 78.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . . . -62.35 -33.61 75.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.14 -53.12 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.302 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -58.43 -32.51 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.2 66.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 83.91 40.78 8.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.503 ' OD1' ' CB ' ' A' ' 17' ' ' ALA . 7.0 p30 -107.72 75.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 1.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 6.6 mt -55.52 -19.28 9.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 1.0 109.345 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -67.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 1.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -28.72 33.01 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.608 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 16.2 mt -76.59 -49.36 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.579 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 11.0 t -65.68 -15.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.72 -25.22 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.4 mt -58.63 -62.16 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 1.0 109.256 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.608 ' CE1' ' O ' ' A' ' 26' ' ' ILE . 50.3 p90 -89.31 -177.87 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.598 1.186 . . . . 1.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.49 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -55.87 -178.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -112.54 -15.64 13.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.62 17.77 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 1.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -67.5 176.11 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 p -136.61 128.84 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.415 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.475 ' CG2' HG12 ' A' ' 51' ' ' ILE . 38.4 t -99.85 153.43 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 112' ' ' MET . 4.5 mm-40 -141.65 72.43 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 1.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.536 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -137.12 146.18 53.4 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 1.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.536 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.1 Cg_endo -75.05 -66.5 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 -2.521 . . . . 1.0 111.039 -0.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -166.3 -174.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 1.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.64 43.67 66.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.574 1.171 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.96 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 1.0 109.955 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 178.98 62.65 0.1 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.04 156.28 42.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 1.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -149.71 83.81 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.6 p -92.79 137.51 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 110.083 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.29 156.99 27.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.46 1.1 . . . . 1.0 111.036 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.547 ' CG2' ' CG1' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -72.64 -17.06 61.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.745 . . . . 1.0 110.416 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.54 13.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.26 -40.12 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 1.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.569 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 16.7 mt -61.28 -40.36 85.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 1.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' THR . 1.4 tmm_? -76.52 -64.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.79 -35.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -77.3 -66.55 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.554 ' CE2' HG21 ' A' ' 51' ' ' ILE . 1.3 m-85 -42.66 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.83 -50.54 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -52.83 -25.05 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -86.8 -50.05 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.447 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -58.74 -16.92 18.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -23.41 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 12.7 tp -91.49 134.15 29.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 70.99 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 1.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.6 166.74 11.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.96 116.43 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 1.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG23 ' CG1' ' A' ' 84' ' ' VAL . 92.9 t -101.85 137.53 29.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.758 ' CD1' ' CZ ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -65.36 161.92 18.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.564 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER -174.08 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 110.399 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -65.6 -82.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' GLN . 1.5 mt-10 -178.36 175.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 1.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 80' ' ' PHE . 18.9 t -137.13 99.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' B' ' 96' ' ' ALA . 12.0 mmt85 -77.27 81.0 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 1.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.502 ' CB ' ' OG1' ' A' ' 8' ' ' THR . . . -89.96 117.53 28.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.474 ' CG1' HG22 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -177.42 150.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.84 50.26 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 1.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 51.34 21.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.24 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.468 ' O ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -120.05 159.91 23.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.0 110.346 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -148.71 95.65 2.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 109.277 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.429 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -102.34 97.95 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.649 ' CE1' ' CG2' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -112.89 163.63 14.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 1.0 111.009 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -127.0 114.94 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.758 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 30.7 m-85 -105.8 172.86 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.564 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -124.31 118.59 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.473 HG12 ' CD ' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -96.78 130.68 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.96 124.68 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 1.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -163.41 152.26 14.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 1.0 110.258 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 mttp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.593 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 25.7 m -157.17 144.9 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 1.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -130.29 114.17 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.47 HG21 ' CG1' ' A' ' 121' ' ' ILE . 93.8 t -93.66 166.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -137.97 75.53 41.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.473 ' CD ' HG12 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 156.52 42.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.521 HG21 ' CD2' ' A' ' 100' ' ' HIS . 3.4 mt -115.88 121.35 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 4.6 m-20 -100.47 126.62 46.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.57 ' CE1' HD11 ' A' ' 115' ' ' LEU . 44.0 m170 -111.21 94.64 5.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 1.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 112' ' ' MET . 3.3 m-30 -81.57 158.08 24.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -138.26 93.14 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 1.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -67.06 147.92 52.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 1.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' A' ' 103' ' ' PHE . 21.3 t -59.54 115.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.472 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 63.5 t -121.34 -4.57 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 132.23 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 1.0 109.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.542 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.4 mtm -143.03 132.01 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 1.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -126.88 167.51 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -139.83 164.75 29.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.57 HD11 ' CE1' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -152.1 102.0 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -115.8 131.03 57.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -119.39 -173.19 15.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 1.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 12.1 tp10 -101.67 -7.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 1.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.9 16.7 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.495 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 0.0 OUTLIER -132.41 42.58 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.372 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.593 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 4.9 mp -134.6 142.43 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 1.2 m-70 -132.64 107.7 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 1.0 109.651 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.14 157.53 21.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.64 173.47 46.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 1.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 109.305 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ttm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.472 0.177 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.92 137.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -95.39 155.46 38.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 1.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -63.0 -45.53 91.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.34 -44.8 74.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.648 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.8 mtm -55.77 -54.71 41.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -58.37 -45.75 87.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 1.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.4 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.81 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.522 HG11 ' CZ ' ' B' ' 80' ' ' PHE . 5.0 t -62.13 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.85 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.25 -39.83 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.472 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 10.3 t80 -59.88 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 1.0 111.057 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' B' ' 18' ' ' LEU . 71.3 t -58.32 -60.74 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.28 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.451 ' CB ' HG13 ' B' ' 26' ' ' ILE . . . -64.62 -41.15 96.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' B' ' 15' ' ' VAL . 7.9 tp -62.77 -55.34 27.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.66 -24.0 66.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.62 -16.03 56.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 66.08 38.69 94.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.555 1.159 . . . . 1.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -97.97 82.64 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.24 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' B' ' 59' ' ' LEU . 0.5 OUTLIER -54.17 -55.97 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -59.5 -26.81 65.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -71.04 -70.3 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 2.6 mp -47.84 -32.1 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 1.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.575 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 88.7 t -75.02 -36.6 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -66.77 -69.16 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 31.9 p90 -83.06 -175.88 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.478 ' CB ' HG21 ' B' ' 110' ' ' VAL . . . -49.26 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.477 ' O ' ' CG2' ' B' ' 48' ' ' THR . 1.2 p30 -103.16 -10.18 19.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -124.64 14.87 8.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 1.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' B' ' 51' ' ' ILE . . . -60.51 169.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 1.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -121.63 133.75 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 1.0 110.461 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' B' ' 51' ' ' ILE . 27.0 t -106.73 150.54 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 2.0 tm-20 -150.36 74.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 1.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.464 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -142.47 147.13 41.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' B' ' 116' ' ' PHE . 18.3 Cg_endo -75.0 -59.23 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.995 -2.502 . . . . 1.0 111.002 -0.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.496 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -162.04 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.91 19.45 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p 60.49 -178.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 109.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 70.69 64.94 0.44 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.1 Cg_endo -75.05 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 1.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -140.15 161.34 37.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 1.0 110.279 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.5 p -143.46 143.09 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 1.0 110.05 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 148.34 23.74 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 52' ' ' ARG . 31.0 p -63.9 -14.08 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.754 . . . . 1.0 110.434 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.71 -65.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.75 78.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.482 HG12 ' CG2' ' B' ' 36' ' ' VAL . 92.3 mt -56.82 -53.17 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 1.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' B' ' 48' ' ' THR . 39.9 ttp85 -58.52 -46.14 87.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 1.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.33 -35.68 74.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -62.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.498 ' OH ' ' CE ' ' B' ' 112' ' ' MET . 5.2 m-85 -52.16 -51.27 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' B' ' 23' ' ' LEU . . . -56.22 -58.47 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 2.6 m120 -43.32 -39.84 3.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 1.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -45.39 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 1.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.546 ' CD1' ' CD2' ' B' ' 23' ' ' LEU . 0.3 OUTLIER -58.37 -21.09 48.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 1.0 109.373 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -44.78 -26.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' B' ' 59' ' ' LEU . 13.3 tp -102.21 116.78 62.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.765 . . . . 1.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' B' ' 85' ' ' SER . 0.2 OUTLIER -124.22 -176.39 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' B' ' 85' ' ' SER . . . -122.97 87.75 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' B' ' 82' ' ' PHE . 76.8 t -88.03 138.24 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.435 ' HA ' ' CG1' ' B' ' 15' ' ' VAL . 10.3 tt0 -171.73 140.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 1.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.481 ' HA ' ' CB ' ' B' ' 82' ' ' PHE . 1.2 pp -69.95 151.11 45.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 1.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.47 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 3.5 mt-30 -143.63 -82.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.437 ' HE2' ' NH2' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -162.17 151.59 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' B' ' 80' ' ' PHE . 60.8 t -130.24 103.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.437 ' NH2' ' HE2' ' B' ' 70' ' ' GLU . 1.6 mpt_? -93.51 97.8 10.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -93.83 115.91 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' B' ' 77' ' ' GLU . 0.7 OUTLIER -174.75 -175.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 1.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 42.01 47.25 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 76' ' ' ASN . 0.4 OUTLIER 43.05 53.94 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.501 ' OE1' ' CD2' ' A' ' 115' ' ' LEU . 1.2 pp20? -179.37 146.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.291 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -106.61 128.69 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.49 103.87 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.522 ' CZ ' HG11 ' B' ' 11' ' ' VAL . 29.5 p90 -125.58 169.61 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.471 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -121.0 134.93 55.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 52.4 p90 -134.06 168.62 18.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 1.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -104.64 163.44 12.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 1.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.476 ' CG1' ' HD3' ' B' ' 97' ' ' PRO . 0.2 OUTLIER -141.2 114.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.461 1.1 . . . . 1.0 109.242 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 0.5 OUTLIER -87.58 117.25 26.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.521 ' CE1' HG22 ' B' ' 95' ' ' VAL . 1.4 p90 -154.62 142.72 20.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 110.285 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -79.87 158.94 26.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.233 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.539 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 27.1 m -157.11 151.68 25.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 1.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -135.07 113.11 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.521 HG22 ' CE1' ' B' ' 86' ' ' PHE . 25.6 t -90.77 167.17 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.449 ' O ' ' NH1' ' A' ' 72' ' ' ARG . . . -141.66 70.25 25.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.04 164.21 33.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 1.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' B' ' 100' ' ' HIS . 4.7 mt -114.81 133.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 1.0 109.355 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.01 139.82 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.567 ' CE1' HG21 ' B' ' 98' ' ' ILE . 0.0 OUTLIER -138.92 97.56 3.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 1.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -93.61 129.36 39.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . 0.447 ' HA ' ' CB ' ' B' ' 77' ' ' GLU . 1.8 tpp180 -95.96 127.95 42.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 1.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' B' ' 109' ' ' VAL . 20.8 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 1.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -73.05 124.87 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' B' ' 110' ' ' VAL . 40.8 t -131.01 6.82 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.62 151.6 13.15 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 1.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.499 ' HE2' ' CE2' ' B' ' 30' ' ' PHE . 1.1 ptt? -170.62 137.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' B' ' 37' ' ' GLU . 21.2 ptt-85 -131.41 -179.1 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 1.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' B' ' 39' ' ' PRO . . . -142.82 171.05 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.7 110.92 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 1.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.57 ' CE1' ' CB ' ' B' ' 97' ' ' PRO . 5.0 m-85 -105.62 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 1.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -167.01 174.26 42.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -94.44 -24.38 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.24 11.82 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.213 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -111.66 28.71 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.539 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.5 mt -130.33 137.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -128.75 105.14 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.582 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.08 169.07 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 173.65 40.19 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 1.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 1.0 109.275 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -154.84 154.6 29.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 110.364 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' O ' ' OG1' ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.91 -26.12 11.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 1.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 6.1 pt-20 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.461 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 7.7 t-160 -73.81 -45.77 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 1.0 109.61 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.472 ' HG2' ' CB ' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -58.29 -58.25 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 1.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 4' ' ' PRO . 3.7 m -59.99 -45.34 93.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 1.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -58.3 -33.82 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.48 -44.18 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.575 HG23 ' CD2' ' A' ' 80' ' ' PHE . 73.1 t -57.02 -43.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -52.54 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 1.0 110.239 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -56.12 -38.14 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.575 ' CE1' HD23 ' A' ' 18' ' ' LEU . 81.7 t80 -61.33 -64.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 t -44.65 -44.4 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 1.0 109.215 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.25 27.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -59.93 -33.28 71.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 14' ' ' TYR . 3.9 mm? -63.26 -47.08 83.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -62.93 -35.09 78.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.21 -6.72 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 58.66 24.93 57.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 1.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.58 103.98 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 1.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' HG ' ' CB ' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -74.18 -62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 1.0 109.383 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -43.5 -41.37 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -64.94 -62.28 5.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.571 HG22 ' CE2' ' A' ' 55' ' ' TYR . 56.5 mt -51.44 -22.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.623 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 4.2 t -86.36 -30.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -85.4 -7.35 58.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.72 -68.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 51' ' ' ILE . 28.7 p90 -75.34 -174.51 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 1.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.618 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -54.0 -171.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 1.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 48' ' ' THR . 17.1 t70 -109.77 -7.44 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -141.67 34.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -73.82 -177.95 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p -129.47 122.08 28.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 1.0 110.345 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.509 ' CG2' HG12 ' A' ' 51' ' ' ILE . 47.9 t -102.89 143.12 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 113' ' ' ARG . 9.5 pt-20 -150.93 101.87 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.515 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -135.73 126.81 17.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -75.04 -74.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.001 -2.499 . . . . 1.0 111.01 0.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.554 ' CG1' ' CB ' ' B' ' 75' ' ' ALA . 1.3 t -144.44 142.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.83 26.82 18.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.431 1.082 . . . . 1.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -112.89 79.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.38 85.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 110.318 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 143.9 29.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 1.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -107.69 144.9 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -131.97 117.37 18.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.18 128.49 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 1.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 2.7 t -47.38 -23.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 1.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.64 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 1.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -58.57 -38.46 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 1.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 76.6 mt -57.3 -39.53 68.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.454 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -71.58 -69.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 1.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -44.54 -32.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 1.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.4 t80 -71.99 -67.95 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.571 ' CE2' HG22 ' A' ' 26' ' ' ILE . 1.9 m-85 -45.42 -39.89 7.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 1.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.492 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . . . -65.36 -54.27 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.33 -28.26 11.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -55.1 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.467 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 1.8 mt -53.89 -20.14 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -39.92 -29.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 86' ' ' PHE . 12.6 tp -93.23 136.08 24.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 83.7 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 1.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -107.39 -175.0 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.81 109.74 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 66' ' ' GLU . 3.0 t -92.83 141.66 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 83' ' ' THR . 9.3 tt0 -168.38 143.94 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 1.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.65 179.41 7.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.56 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 1.0 110.412 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.487 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -63.36 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -171.66 176.97 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 110.292 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 90.2 t -124.47 139.37 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 1.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.499 ' NH2' ' ND2' ' B' ' 120' ' ' ASN . 0.1 OUTLIER -117.7 85.61 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 110.337 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' C ' ' CG2' ' A' ' 74' ' ' VAL . . . -89.72 136.5 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.28 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.561 ' CG1' ' CG2' ' B' ' 40' ' ' VAL . 0.8 OUTLIER -152.63 -143.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -45.37 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 17.9 m-80 36.05 34.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.59 ' OE1' ' CE1' ' A' ' 100' ' ' HIS . 3.2 mt-10 -125.77 158.48 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 1.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 7' ' ' MET . . . -154.23 90.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.5 100.45 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 99' ' ' ASP . 41.3 p90 -122.48 154.99 37.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.487 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -107.79 124.99 50.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.622 1.201 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 24.4 p90 -123.3 173.84 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 1.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -114.79 155.4 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 110.386 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.676 ' CG2' ' CE2' ' A' ' 86' ' ' PHE . 1.4 p -151.74 109.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -98.69 134.32 41.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.057 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.676 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 0.9 OUTLIER -120.69 167.42 12.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 124' ' ' GLY . 16.5 mttp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 94' ' ' VAL . 2.8 m -127.63 170.68 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.619 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 1.4 p -148.0 96.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 1.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.501 ' C ' ' HD3' ' A' ' 97' ' ' PRO . 41.3 t -88.14 142.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.478 ' N ' HG11 ' A' ' 95' ' ' VAL . . . -122.61 70.01 35.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.585 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.0 Cg_endo -74.99 170.41 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.475 HD13 ' CZ ' ' B' ' 72' ' ' ARG . 4.3 mt -118.27 122.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 1.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -90.36 125.21 35.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.258 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.59 ' CE1' ' OE1' ' A' ' 77' ' ' GLU . 51.8 t-80 -114.6 95.93 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 1.0 109.575 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -90.28 143.62 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.488 ' CG ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -131.02 92.92 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 109' ' ' VAL . 2.6 m-85 -67.25 156.17 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 1.0 109.239 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 103' ' ' PHE . 31.4 t -76.4 115.51 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 109.385 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.495 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 62.5 t -115.11 -12.03 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 1.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 102' ' ' ARG . 0.5 OUTLIER -128.01 124.93 38.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.026 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.3 ttp -136.51 99.75 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.471 ' HD2' ' CD1' ' A' ' 115' ' ' LEU . 2.6 ttm-85 -118.83 123.26 44.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 1.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -103.56 117.0 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -95.87 120.79 36.77 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 97' ' ' PRO . 3.5 m-85 -101.35 -175.2 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.46 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -158.05 -173.14 26.08 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.508 1.13 . . . . 1.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.94 -18.11 13.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 1.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -109.2 14.88 23.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 1.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' ND2' ' NE ' ' B' ' 72' ' ' ARG . 43.0 m-80 -111.56 -12.77 13.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 1.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.549 ' N ' ' CD1' ' A' ' 121' ' ' ILE . 1.9 mp -102.91 135.33 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -133.9 102.93 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.606 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.51 161.41 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . -172.87 -173.24 39.19 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 1.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 1.0 109.265 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.524 0.202 . . . . 1.0 111.049 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -82.48 85.27 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -127.22 155.51 76.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.771 . . . . 1.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.58 84.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -70.54 -44.12 68.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.571 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -56.27 -54.83 40.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -59.05 -49.84 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.28 -37.96 67.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 1.0 109.296 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 t -68.16 -35.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 1.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.45 HG23 ' CD1' ' B' ' 80' ' ' PHE . 6.4 t -65.0 -49.34 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.71 -53.9 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.36 -41.51 76.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.471 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 21.3 t80 -56.81 -53.9 52.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.062 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' B' ' 66' ' ' GLU . 53.6 t -54.25 -57.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.75 -42.3 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.65 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.83 -55.25 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.76 -26.33 68.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.43 -11.75 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 65.39 25.19 71.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.546 1.154 . . . . 1.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.499 ' O ' ' CD1' ' B' ' 26' ' ' ILE . 13.4 t0 -84.53 87.91 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 1.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' B' ' 55' ' ' TYR . 2.0 mt -65.61 -59.01 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -51.65 -43.28 62.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -59.73 9.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 1.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.592 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 9.0 mt -50.74 -39.95 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.574 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 41.6 t -65.08 -34.88 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.47 57.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -60.54 -46.04 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 1.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 5.4 p90 -113.09 -175.37 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -52.42 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -106.35 -19.95 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 1.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.85 21.3 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -62.4 153.87 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 1.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.465 ' HA ' ' CB ' ' B' ' 46' ' ' SER . 20.5 p -100.91 124.99 47.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 1.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.49 ' CG2' HG12 ' B' ' 51' ' ' ILE . 21.4 t -100.56 138.02 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -126.76 63.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.6 ' CG ' ' CZ ' ' B' ' 54' ' ' PHE . 0.9 OUTLIER -115.8 134.33 22.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -74.93 -57.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.095 0 C-N-CA 121.025 -2.489 . . . . 1.0 110.983 -0.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.561 ' CG2' ' CG1' ' A' ' 74' ' ' VAL . 2.5 t -112.48 -174.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' B' ' 43' ' ' GLU . . . -53.77 -17.37 6.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.554 1.159 . . . . 1.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -57.97 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 0.718 . . . . 1.0 110.019 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' GLY . 0.2 OUTLIER 83.84 86.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 1.0 110.263 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.808 . . . . 1.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.459 ' CD ' ' HB2' ' B' ' 50' ' ' ALA . 9.4 mtt180 -160.02 175.26 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' B' ' 35' ' ' THR . 1.3 p 178.61 150.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 1.0 110.08 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.62 155.84 30.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 29.8 p -64.8 -15.97 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 0.812 . . . . 1.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -74.08 -59.78 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.459 ' HB2' ' CD ' ' B' ' 45' ' ' ARG . . . -67.8 -33.61 75.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.49 HG12 ' CG2' ' B' ' 36' ' ' VAL . 20.9 mt -63.64 -65.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 2.6 ttp180 -56.49 -48.04 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 62.8 tt0 -54.49 -35.87 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 110.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.6 ' CZ ' ' CG ' ' B' ' 38' ' ' ASP . 0.2 OUTLIER -74.83 -72.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.506 ' CB ' ' CD2' ' B' ' 23' ' ' LEU . 4.4 m-85 -46.26 -25.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 1.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -77.04 -67.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -50.58 -22.97 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -85.69 -46.84 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 1.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 0.6 OUTLIER -60.5 -21.7 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 1.0 109.233 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -19.62 8.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -99.46 140.11 21.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.478 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 55.08 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -93.89 132.13 38.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 1.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . 0.421 ' N ' HD21 ' B' ' 63' ' ' LEU . . . -108.07 98.8 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.418 HG11 ' N ' ' B' ' 66' ' ' GLU . 1.6 t -93.49 146.86 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.477 ' HA ' ' CG1' ' B' ' 15' ' ' VAL . 4.1 tt0 -167.49 138.19 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 1.0 110.27 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.479 ' HA ' ' CB ' ' B' ' 82' ' ' PHE . 0.3 OUTLIER -74.29 140.5 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 1.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.479 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 73.3 p -114.55 -23.26 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' B' ' 69' ' ' GLN . 0.2 OUTLIER 171.23 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 1.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.491 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 2.2 mt-10 60.33 116.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 1.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' B' ' 70' ' ' GLU . 42.6 t -155.21 70.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.475 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 14.0 mmt85 -66.25 92.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.461 ' HB3' ' CE ' ' B' ' 7' ' ' MET . . . -97.82 79.34 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' B' ' 75' ' ' ALA . 1.5 t -138.78 161.08 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.554 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . 48.05 50.15 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 103' ' ' PHE . 2.0 t-20 45.41 43.65 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.414 ' OE1' ' CG ' ' B' ' 102' ' ' ARG . 2.0 tp10 -148.1 126.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.66 96.41 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.701 ' CB ' ' CE1' ' B' ' 100' ' ' HIS . . . -100.69 100.07 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.687 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 26.4 p90 -112.24 161.26 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 1.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.32 116.02 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 1.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.49 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 28.9 p90 -116.2 -168.8 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.159 . . . . 1.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.1 OUTLIER -128.02 160.71 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.9 OUTLIER -137.81 113.69 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.87 114.55 26.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 1.0 110.059 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.448 ' CE1' HG22 ' B' ' 95' ' ' VAL . 2.1 p90 -153.08 147.41 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.255 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.302 -0.258 . . . . 1.0 110.302 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.457 ' CD ' ' HB1' ' B' ' 125' ' ' ALA . 1.0 OUTLIER -89.03 156.41 18.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 1.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.599 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 33.1 m -156.75 144.78 19.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -127.44 113.94 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 1.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.448 HG22 ' CE1' ' B' ' 86' ' ' PHE . 13.1 t -93.24 166.71 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.09 67.18 33.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.49 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.28 35.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.475 HG13 ' CD ' ' A' ' 72' ' ' ARG . 3.4 mt -111.89 123.56 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.687 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -92.44 119.58 32.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.368 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.701 ' CE1' ' CB ' ' B' ' 79' ' ' ALA . 0.2 OUTLIER -101.93 93.82 5.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 1.0 109.573 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.408 ' HZ ' ' CD1' ' B' ' 14' ' ' TYR . 9.9 m-30 -84.41 143.04 29.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.155 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' OE1' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -126.18 123.94 39.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 1.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.574 ' CZ ' ' CG2' ' B' ' 109' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.574 ' CG2' ' CZ ' ' B' ' 103' ' ' PHE . 43.9 t -53.55 115.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.47 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 53.6 t -134.08 8.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 109.332 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.81 138.24 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.536 ' HE2' ' CZ ' ' B' ' 30' ' ' PHE . 1.6 mtt -146.99 151.27 36.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -152.73 169.99 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 1.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' B' ' 39' ' ' PRO . . . -143.87 167.27 22.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.13 110.42 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' B' ' 116' ' ' PHE . 3.5 p90 -120.04 123.48 43.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' B' ' 120' ' ' ASN . . . -103.98 173.34 21.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.2 OUTLIER -93.08 -10.25 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.786 . . . . 1.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -104.46 11.48 34.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.499 ' ND2' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -115.45 30.71 7.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.599 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 2.1 mt -127.06 140.66 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . 0.54 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.2 OUTLIER -130.97 100.38 5.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 1.0 109.608 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.52 173.25 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' B' ' 125' ' ' ALA . . . 172.92 177.23 42.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.506 1.129 . . . . 1.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 0.798 . . . . 1.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.42 ' HA ' ' ND2' ' A' ' 76' ' ' ASN . 25.2 t-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -128.39 155.65 78.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.07 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -30.81 6.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.545 1.813 . . . . 1.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -45.86 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 1.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -69.49 -47.55 63.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 109.644 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -54.6 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 1.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -61.07 -37.36 82.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.42 94.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.433 HG12 ' CZ ' ' A' ' 103' ' ' PHE . 78.0 t -64.39 -35.07 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.38 -51.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 1.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -60.04 -46.57 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.43 -43.4 98.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 1.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 39.4 t80 -56.2 -49.61 73.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 1.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 97.1 t -58.39 -62.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 20' ' ' ALA . . . -42.28 -38.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.28 -46.77 69.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.387 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 9.6 tp -57.98 -57.66 11.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 4.9 t-20 -57.67 -41.18 81.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -61.0 -18.58 58.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 82.89 7.34 87.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.583 1.177 . . . . 1.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 15.0 m-20 -65.96 74.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 1.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -56.89 -60.0 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -50.86 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.55 -42.02 19.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 1.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.588 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 15.0 mt -66.58 -48.5 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -60.77 -19.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.619 1.199 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.93 -22.39 17.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.387 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.6 tt -54.42 -40.16 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.155 . . . . 1.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 1.9 p90 -114.09 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 1.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' PHE . . . -44.55 166.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -94.31 -16.88 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.63 19.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 1.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.491 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -63.75 158.82 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 p -113.57 123.93 51.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 1.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.482 HG22 ' CG2' ' A' ' 51' ' ' ILE . 23.4 t -102.86 159.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 11.7 tp10 -155.84 73.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.483 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -144.32 150.02 46.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 1.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.483 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.96 -63.26 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.981 -2.508 . . . . 1.0 111.008 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' B' ' 74' ' ' VAL . 0.2 OUTLIER -151.78 -175.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.183 . . . . 1.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 12.25 37.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 1.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p 63.2 -178.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 0.763 . . . . 1.0 109.93 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.55 76.23 0.14 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.4 22.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.583 1.833 . . . . 1.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -130.22 119.26 22.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 p -106.45 132.6 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 1.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.92 127.99 5.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 1.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.417 ' OG1' ' CG1' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -47.72 -23.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 1.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.89 -50.67 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.02 74.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CG2' HG22 ' A' ' 36' ' ' VAL . 61.7 mt -64.12 -66.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -51.4 -38.63 54.45 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 1.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.03 -49.82 74.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -62.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -45.78 -39.93 8.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 1.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -67.37 -52.52 38.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.34 -25.15 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -76.86 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 1.0 110.032 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.461 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.3 OUTLIER -53.82 -19.82 4.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 14.4 tp -93.65 139.28 22.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.076 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.01 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 1.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -84.63 -175.1 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.55 98.35 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 54.6 t -93.96 140.3 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 1.1 tt0 -171.84 130.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -64.24 165.51 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.449 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.2 OUTLIER -139.76 -44.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 110.397 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' CD ' ' OG1' ' A' ' 68' ' ' THR . 0.0 OUTLIER -170.68 -169.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 1.0 110.242 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.53 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER 59.85 119.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.909 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 58.7 t -157.61 61.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.909 ' NH2' ' H ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -58.8 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -95.01 117.65 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.413 ' CG1' HG22 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -176.68 153.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.98 50.69 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 1.0 109.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER 50.29 30.03 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.4 mt-10 -129.21 169.5 14.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -157.55 102.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 100' ' ' HIS . . . -102.32 92.9 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.663 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 38.8 p90 -105.37 158.16 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.472 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -113.59 113.84 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 29.2 p90 -113.35 -177.82 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.449 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -118.93 164.17 15.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.107 . . . . 1.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 86' ' ' PHE . 1.3 p -159.46 106.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.492 ' CB ' HG21 ' A' ' 94' ' ' VAL . 5.7 t -97.86 136.59 37.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -124.26 170.3 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.961 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 1.0 110.28 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 85' ' ' SER . 98.1 m -151.71 166.3 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -142.8 96.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 96' ' ' ALA . 58.4 t -92.72 146.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.471 ' N ' HG11 ' A' ' 95' ' ' VAL . . . -126.44 70.63 70.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.576 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -74.94 163.4 35.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 111.031 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 81' ' ' ALA . 27.4 mt -113.72 118.83 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.663 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.0 m-20 -94.62 135.87 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.423 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 10.1 t-160 -123.58 108.4 12.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 15.4 m-30 -97.62 157.91 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -148.15 109.05 4.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 110.309 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CE1' HG23 ' A' ' 109' ' ' VAL . 5.7 m-30 -93.88 157.0 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 tttp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' A' ' 103' ' ' PHE . 12.6 t -75.66 116.64 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 1.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.491 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 21.2 t -134.11 9.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.33 113.38 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -148.76 133.92 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -141.66 178.75 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -144.69 168.24 20.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 1.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.71 108.62 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 97' ' ' PRO . 1.1 m-85 -69.37 -175.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.54 175.05 21.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -123.06 -3.37 8.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.786 . . . . 1.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -133.18 9.24 4.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.49 ' ND2' ' NE ' ' B' ' 72' ' ' ARG . 1.3 m-20 -113.67 27.01 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.404 HG13 ' CG2' ' A' ' 95' ' ' VAL . 2.8 mp -121.61 138.41 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 0.6 OUTLIER -128.39 104.37 7.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.0 109.602 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.93 18.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.26 175.44 46.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 1.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 1.0 109.338 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.452 ' HG3' ' CG2' ' B' ' 3' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.538 0.209 . . . . 1.0 110.956 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' B' ' 76' ' ' ASN . 0.6 OUTLIER -79.35 98.48 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 1.0 109.36 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.452 ' CG2' ' HG3' ' B' ' 1' ' ' MET . 9.7 p -128.38 155.74 78.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 1.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.36 9.22 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 1.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.51 -38.89 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -72.33 -48.21 43.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 1.0 109.643 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.0 mtm -57.08 -53.92 52.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.443 1.089 . . . . 1.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -60.47 -44.07 96.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.435 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.79 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.12 -57.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE1' ' B' ' 80' ' ' PHE . 3.3 t -52.88 -36.12 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.59 -54.17 31.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 1.0 110.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -34.77 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -65.56 -50.39 65.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 t -55.5 -46.17 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.03 -64.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 1.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.29 -37.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.45 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 9.7 tp -60.97 -57.84 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 1.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -60.06 -16.05 28.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 1.0 109.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.86 -29.69 23.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 1.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 88.28 20.05 50.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 47.1 t0 -80.64 90.24 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' B' ' 56' ' ' ALA . 1.4 mt -71.91 -60.19 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -47.91 -49.66 29.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.38 -61.29 6.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 1.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.61 ' O ' ' CE1' ' B' ' 30' ' ' PHE . 43.7 mt -41.8 -35.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 1.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.601 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 1.0 OUTLIER -71.1 -47.64 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -69.45 -6.57 31.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 109.238 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.06 -37.26 82.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' B' ' 26' ' ' ILE . 0.8 OUTLIER -117.59 -174.31 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 1.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.406 ' CB ' HG23 ' B' ' 110' ' ' VAL . . . -43.9 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.525 ' C ' ' OG1' ' B' ' 48' ' ' THR . 2.6 p30 -80.33 -1.83 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 34' ' ' ALA . 9.0 t0 -129.91 -76.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 1.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.575 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . 43.86 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.462 HG21 ' CB ' ' B' ' 46' ' ' SER . 64.4 p -149.73 127.97 12.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.52 ' CG2' HG12 ' B' ' 51' ' ' ILE . 14.0 t -109.93 136.85 44.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.541 ' O ' ' CG ' ' B' ' 37' ' ' GLU . 0.2 OUTLIER -145.25 109.22 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 1.0 110.359 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.582 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -161.62 145.82 9.85 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.582 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -74.98 -70.87 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.056 -2.477 . . . . 1.0 110.957 -0.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.528 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -163.61 175.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.177 . . . . 1.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 127.8 -1.4 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 1.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.2 m 86.81 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 1.0 110.09 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.45 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 6.3 tp10 -179.55 62.11 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.06 166.07 29.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.485 1.781 . . . . 1.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.72 144.37 50.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.462 ' CB ' HG21 ' B' ' 35' ' ' THR . 96.2 p -132.53 140.96 48.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.32 125.94 5.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.388 1.055 . . . . 1.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.525 ' OG1' ' C ' ' B' ' 32' ' ' ASP . 2.7 m -53.36 -19.44 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -53.79 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.01 -25.06 65.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' B' ' 30' ' ' PHE . 65.2 mt -71.74 -45.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.471 ' CB ' HG22 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -69.24 -44.61 71.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.03 -46.36 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -61.38 -60.6 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' B' ' 59' ' ' LEU . 1.6 m-85 -58.03 -22.17 48.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.47 ' HA ' ' CD1' ' B' ' 23' ' ' LEU . . . -72.03 -68.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 1.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' B' ' 57' ' ' ASN . 0.9 OUTLIER -47.4 -35.22 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.424 ' N ' ' ND2' ' B' ' 57' ' ' ASN . 36.6 t -71.64 -46.38 59.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 0.2 OUTLIER -59.2 -23.62 62.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 1.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -44.27 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.497 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 9.6 tp -95.83 140.52 22.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.497 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.98 54.95 3.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 1.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' B' ' 86' ' ' PHE . 1.0 OUTLIER -57.03 160.87 3.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' B' ' 85' ' ' SER . . . -132.03 64.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' B' ' 82' ' ' PHE . 55.2 t -69.3 139.3 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.42 ' N ' HG11 ' B' ' 65' ' ' VAL . 25.6 tp10 -161.74 142.56 10.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.108 . . . . 1.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' B' ' 82' ' ' PHE . 0.2 OUTLIER -76.64 169.72 17.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.418 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.1 OUTLIER -175.07 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 1.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.15 -101.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.457 ' CD ' ' NH2' ' B' ' 72' ' ' ARG . 3.3 pt-20 -169.79 176.8 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 95.8 t -122.84 138.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.49 ' NE ' ' ND2' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -114.46 84.86 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -86.52 137.53 32.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 1.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 116' ' ' PHE . 1.5 t -147.48 -148.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . -48.76 97.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' B' ' 2' ' ' ASN . 8.6 m-80 39.17 31.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 0.1 OUTLIER -123.88 156.98 35.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.253 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -153.51 94.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.48 100.07 9.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.234 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' B' ' 99' ' ' ASP . 22.7 p90 -117.49 157.54 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.461 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -107.85 119.11 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.603 ' CD1' ' OD1' ' B' ' 99' ' ' ASP . 7.3 p90 -121.75 162.18 21.29 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.596 1.185 . . . . 1.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.418 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -107.72 160.35 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.413 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.55 HG11 ' CE2' ' B' ' 82' ' ' PHE . 0.7 OUTLIER -136.96 115.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' B' ' 64' ' ' ALA . 0.4 OUTLIER -94.51 114.37 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 109.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 3.6 p90 -147.47 147.38 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.453 ' CG ' ' HG3' ' B' ' 92' ' ' LYS . 54.2 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.375 -0.231 . . . . 1.0 110.375 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.453 ' HG3' ' CG ' ' B' ' 87' ' ' GLU . 10.1 mttt -95.78 158.78 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.574 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 4.0 m -155.02 146.4 23.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -130.87 116.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.495 HG22 ' CE1' ' B' ' 86' ' ' PHE . 3.4 t -96.44 162.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.46 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -142.81 63.53 13.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.577 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -74.97 162.8 36.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 1.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.476 ' CD1' ' HD2' ' A' ' 72' ' ' ARG . 48.4 mt -111.58 118.76 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CG ' ' CZ ' ' B' ' 80' ' ' PHE . 0.0 OUTLIER -97.79 131.6 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -129.34 116.23 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.566 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' B' ' 99' ' ' ASP . 2.4 m-85 -121.43 159.25 26.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 1.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' B' ' 111' ' ' SER . 1.6 ptt85 -133.74 135.81 44.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 1.0 110.312 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' B' ' 109' ' ' VAL . 2.2 m-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 1.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' B' ' 103' ' ' PHE . 2.7 t -66.1 117.56 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.575 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 94.8 t -116.28 -15.04 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 1.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' SER . . . . . 0.424 ' CB ' ' HG2' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -129.45 124.55 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.453 ' HE3' ' CB ' ' B' ' 34' ' ' ALA . 0.0 OUTLIER -144.55 118.42 9.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 111.071 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CB ' ' HG3' ' B' ' 37' ' ' GLU . 4.0 mtm-85 -131.16 162.18 30.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 1.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' B' ' 38' ' ' ASP . . . -125.13 165.04 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.82 107.86 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -125.13 148.81 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.434 ' N ' ' OD1' ' B' ' 120' ' ' ASN . . . -123.84 -173.27 13.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.84 -27.09 44.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 1.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 5.71 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' B' ' 96' ' ' ALA . 3.6 m120 -89.97 -19.07 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 109.248 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.477 ' CG2' HG23 ' B' ' 93' ' ' THR . 2.3 mp -96.29 135.21 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -131.8 95.46 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 1.0 109.525 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.36 165.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.322 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 179.08 173.43 44.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 1.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.736 . . . . 1.0 109.298 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.368 -0.605 . . . . 1.0 109.368 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.521 HG22 ' CG ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -129.89 151.76 78.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.423 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -34.89 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 1.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.07 -41.79 79.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.521 ' CG ' HG22 ' A' ' 3' ' ' THR . 9.4 m170 -76.64 -53.02 8.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -42.2 25.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -73.53 -51.74 15.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 1.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.8 -36.98 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.377 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.2 t -72.31 -52.01 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.56 HG21 ' CE2' ' A' ' 101' ' ' PHE . 3.9 t -50.76 -35.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -25.39 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 15.7 t80 -74.41 -57.34 4.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 1.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 2.9 t -49.54 -46.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.27 -63.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.55 -37.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.12 -53.72 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -60.78 -17.9 51.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.13 -24.42 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 78.07 41.67 17.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 1.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -94.26 95.44 8.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 1.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.82 -51.7 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 1.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -46.12 87.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.65 -61.97 6.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.598 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 53.8 mt -49.33 -36.01 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 1.0 109.215 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.9 t -69.29 -35.53 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -76.74 -16.91 59.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.3 mt -64.3 -66.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 29.5 p90 -88.12 -175.47 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' PHE . . . -51.13 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -111.64 -13.29 13.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.269 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -115.66 6.54 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 109.261 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -56.54 176.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.0 p -132.87 123.65 26.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.459 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 44' ' ' PRO . 82.5 t -90.59 137.82 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -145.74 63.75 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.516 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -131.43 141.63 42.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 1.0 109.408 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.516 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.07 -65.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.953 -2.519 . . . . 1.0 111.025 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG22 ' CG1' ' B' ' 74' ' ' VAL . 0.6 OUTLIER -148.4 -176.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.8 5.6 31.11 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.419 1.074 . . . . 1.0 111.066 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 m 63.37 -178.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 1.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.25 65.76 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.3 Cg_endo -74.95 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.29 107.39 9.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -90.68 139.61 30.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 1.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 96.38 124.13 4.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 1.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -41.86 -27.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 1.0 110.415 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -65.02 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.44 67.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 36' ' ' VAL . 78.9 mt -62.84 -44.31 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -59.03 6.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 1.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -49.19 -42.73 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 1.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.55 -62.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 1.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -55.7 -18.13 7.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.06 -66.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -51.01 -29.96 13.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 109.287 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -76.98 -51.89 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.961 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.443 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 11.0 mt -56.62 -20.65 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.65 -27.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 1.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 10.6 tp -101.33 139.96 20.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 1.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.03 56.56 4.31 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 1.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 86' ' ' PHE . 15.3 mt -53.13 165.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 1.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 85' ' ' SER . . . -133.4 63.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 82' ' ' PHE . 96.1 t -76.37 137.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 1.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 41.1 tt0 -156.5 145.97 20.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 1.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' N ' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -76.87 144.41 39.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER 175.26 68.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 110.426 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.442 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER 178.35 -150.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.1 156.22 17.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 110.36 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 96.3 t -129.18 102.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.693 ' NH2' HD22 ' B' ' 120' ' ' ASN . 0.0 OUTLIER -71.67 79.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.11 111.46 23.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.53 155.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB1' ' N ' ' B' ' 41' ' ' GLY . . . 54.38 50.42 16.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.8 m120 51.64 26.13 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -121.29 165.96 14.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 1.0 110.382 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.09 90.76 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.695 ' CB ' ' CD2' ' A' ' 100' ' ' HIS . . . -108.0 95.73 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 99' ' ' ASP . 50.5 p90 -112.16 163.9 13.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 98' ' ' ILE . . . -115.25 121.34 42.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.594 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 35.8 p90 -125.22 168.62 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.52 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 110.413 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.595 ' CG1' ' CD ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -146.09 98.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.257 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.428 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 1.3 t -81.06 141.35 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 93' ' ' THR . 3.0 p90 -158.93 144.48 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.247 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 10.1 m -130.23 147.49 51.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 1.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -124.9 120.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.552 HG22 ' CE1' ' A' ' 86' ' ' PHE . 9.1 t -99.5 163.48 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -142.03 66.14 20.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 169.93 21.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 1.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.554 ' CG2' ' NE2' ' A' ' 100' ' ' HIS . 1.4 mt -115.1 126.4 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.594 ' OD2' ' CE1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -98.57 129.28 45.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 1.0 109.31 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.695 ' CD2' ' CB ' ' A' ' 79' ' ' ALA . 43.3 m170 -114.57 116.51 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CE2' HG21 ' A' ' 11' ' ' VAL . 16.5 m-30 -113.26 139.91 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -119.63 97.74 5.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 1.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.576 ' CD2' HG21 ' A' ' 109' ' ' VAL . 1.2 m-85 -75.17 117.72 17.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 1.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 1.0 109.341 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 5.0 mttt . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.576 HG21 ' CD2' ' A' ' 103' ' ' PHE . 85.8 t -38.33 114.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 109.258 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 88.9 t -114.52 -30.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.49 112.16 23.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 1.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' GLU . 1.1 ttp -123.74 115.34 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -143.25 135.83 27.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.293 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.495 ' CB ' ' OD1' ' A' ' 38' ' ' ASP . . . -104.41 166.84 10.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' B' ' 74' ' ' VAL . 0.5 OUTLIER -147.49 106.42 3.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 1.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -122.18 127.3 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -108.96 173.07 17.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 1.6 tt0 -76.5 -2.48 32.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 0.767 . . . . 1.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.81 27.22 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -139.64 24.83 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.462 ' CG2' HG23 ' A' ' 93' ' ' THR . 2.2 mp -128.11 137.14 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -125.94 118.09 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.15 147.68 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 1.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -177.02 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 1.0 109.357 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 t30 49.27 57.07 6.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 1.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.507 ' OG1' ' CG ' ' B' ' 6' ' ' HIS . 3.1 p -118.58 157.31 50.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.5 Cg_endo -74.92 -33.73 4.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 1.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -31.43 66.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' OG1' ' B' ' 3' ' ' THR . 25.4 m170 -75.4 -61.44 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.589 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' B' ' 73' ' ' ALA . 21.6 ptp -53.44 -39.98 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' B' ' 7' ' ' MET . 76.8 m -69.42 -43.75 72.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -34.4 69.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.467 1.104 . . . . 1.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.8 -50.79 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' B' ' 80' ' ' PHE . 2.5 t -50.82 -37.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -68.77 -54.29 16.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.8 -28.25 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.314 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.461 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 25.0 t80 -72.49 -59.48 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.32 -46.34 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 1.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -63.76 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 1.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.2 -35.39 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.367 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.4 -58.76 5.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -16.84 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.66 -33.24 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 89.02 29.51 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.066 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.493 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 33.3 m-20 -92.63 92.71 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 1.0 109.213 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.04 -61.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -50.24 42.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.14 -60.12 9.18 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.449 1.093 . . . . 1.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.603 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 30.4 mt -43.15 -40.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.56 0.8 . . . . 1.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.566 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 24.4 t -64.97 -46.96 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -66.0 -14.4 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -65.51 -46.46 79.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.1 p90 -113.46 -176.38 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.93 170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 1.0 109.285 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.467 ' O ' ' CG2' ' B' ' 48' ' ' THR . 2.5 p30 -97.55 -16.93 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.66 24.9 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -68.65 158.19 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 12.8 p -120.72 121.74 38.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 1.0 110.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.465 ' CG2' HG12 ' B' ' 51' ' ' ILE . 28.7 t -97.96 151.33 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.479 ' CA ' ' OE1' ' B' ' 37' ' ' GLU . 2.6 tp10 -150.15 85.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 1.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.483 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -144.63 145.98 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.533 ' HB3' ' CD1' ' B' ' 116' ' ' PHE . 18.3 Cg_endo -74.95 -62.98 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.513 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -166.36 -175.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.403 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 102.54 3.02 50.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.087 . . . . 1.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.7 m 85.24 114.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 0.801 . . . . 1.0 109.958 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.6 OUTLIER 160.71 70.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 167.79 26.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 1.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' B' ' 54' ' ' PHE . 3.8 ptt180 -147.72 96.68 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -90.56 135.82 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.37 144.79 14.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 50.4 p -61.79 -13.49 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 1.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -76.16 -48.99 18.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.364 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.11 -33.61 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 109.255 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' B' ' 55' ' ' TYR . 97.2 mt -67.34 -51.14 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' B' ' 48' ' ' THR . 11.2 ptm180 -71.08 -38.4 72.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 7.0 tt0 -54.76 -55.02 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.651 ' CE1' ' NH2' ' B' ' 45' ' ' ARG . 5.8 t80 -64.56 -56.01 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 1.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.539 ' CE2' HG21 ' B' ' 51' ' ' ILE . 1.8 m-85 -50.6 -26.07 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.88 -67.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.19 -27.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 1.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.77 -44.92 12.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 1.1 mt -57.31 -21.71 36.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -21.02 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 tp -99.92 109.05 54.67 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 1.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' B' ' 85' ' ' SER . 0.2 OUTLIER -129.44 -176.22 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -120.52 88.14 2.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' B' ' 84' ' ' VAL . 92.6 t -92.34 137.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -176.96 142.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.463 HD12 ' CD2' ' B' ' 80' ' ' PHE . 0.2 OUTLIER -59.77 149.1 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.488 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 14.2 t -160.58 26.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.458 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.2 OUTLIER -142.37 -96.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 110.304 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -163.18 172.51 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 1.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.478 ' HA ' ' CB ' ' B' ' 80' ' ' PHE . 58.2 t -127.01 112.6 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.86 81.87 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.517 ' C ' ' CG2' ' B' ' 74' ' ' VAL . . . -81.57 152.72 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.517 ' CG2' ' C ' ' B' ' 73' ' ' ALA . 0.1 OUTLIER -171.01 -162.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -39.78 98.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' B' ' 75' ' ' ALA . 0.7 OUTLIER 36.92 47.35 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 1.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.447 ' O ' ' SD ' ' B' ' 7' ' ' MET . 16.7 mt-10 -142.97 149.96 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 1.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -152.06 93.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.98 96.46 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.2 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.568 ' CE1' HG11 ' B' ' 11' ' ' VAL . 35.4 p90 -114.28 161.92 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 1.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.466 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -115.56 130.37 56.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.599 ' CE1' ' OD2' ' B' ' 99' ' ' ASP . 48.1 p90 -133.05 169.41 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 1.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.488 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.23 170.61 7.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 1.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -161.68 114.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.355 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 21.2 t -94.51 110.77 22.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -126.74 149.22 49.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.266 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.299 -0.26 . . . . 1.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 148.96 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.587 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 8.4 m -156.55 147.22 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.472 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.07 93.86 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.416 HG11 ' N ' ' B' ' 96' ' ' ALA . 79.4 t -81.57 145.98 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 1.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' B' ' 120' ' ' ASN . . . -126.92 72.46 75.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.627 ' CB ' ' CZ ' ' B' ' 116' ' ' PHE . 18.3 Cg_endo -74.99 165.45 31.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.821 . . . . 1.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.466 HG12 ' CB ' ' B' ' 81' ' ' ALA . 5.4 mt -116.39 118.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 109.358 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.599 ' OD2' ' CE1' ' B' ' 82' ' ' PHE . 0.6 OUTLIER -92.68 137.62 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -132.4 104.32 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.61 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.514 ' CD2' HG23 ' B' ' 11' ' ' VAL . 13.3 m-30 -109.15 136.63 48.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . 0.546 ' NE ' ' CB ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -120.23 132.44 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.576 ' CE1' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.525 ' HA ' ' CE2' ' B' ' 103' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.576 HG21 ' CE1' ' B' ' 103' ' ' PHE . 4.5 t -73.81 124.58 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 1.0 109.218 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.472 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 97.9 t -125.38 -44.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.377 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' SER . . . . . 0.546 ' CB ' ' NE ' ' B' ' 102' ' ' ARG . 3.1 m -93.71 117.97 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.44 ' HE2' ' CB ' ' B' ' 34' ' ' ALA . 0.0 OUTLIER -131.11 124.52 30.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 111.063 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -146.07 144.44 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' B' ' 38' ' ' ASP . . . -114.29 177.59 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.469 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -153.17 107.48 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -105.38 -172.89 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.525 ' N ' ' NH2' ' A' ' 72' ' ' ARG . . . 170.98 -173.38 44.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 1.0 111.059 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 15.2 mt-10 -115.43 53.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 1.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -147.16 23.83 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.693 HD22 ' NH2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -163.16 50.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 109.239 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.587 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 4.0 mp -134.0 136.96 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -124.65 99.49 6.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 1.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.97 171.15 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.04 173.42 35.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.118 . . . . 1.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 11.1 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -147.13 154.24 46.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.91 -29.16 8.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 4.5 mt-10 -69.46 -45.91 67.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 2.8 t-160 -68.59 -48.55 63.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.553 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 71.1 mtm -62.08 -62.24 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 37.2 m -51.76 -41.32 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -58.02 -47.97 81.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.5 t -57.07 -42.43 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 80' ' ' PHE . 4.4 t -57.85 -44.26 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 1.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -62.29 -40.57 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -35.3 79.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.456 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.4 t80 -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.19 -49.3 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 1.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.27 -60.71 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -56.95 -23.01 42.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 1.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.56 -34.72 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.05 21.21 33.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 1.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.506 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 73.2 m-20 -83.1 91.89 7.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 0.722 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -48.03 -43.73 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 1.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.19 -57.79 17.99 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 1.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.623 ' CG2' ' CE1' ' A' ' 55' ' ' TYR . 23.5 mt -51.7 -29.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -76.2 -33.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.59 58.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.146 . . . . 1.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -56.27 -47.19 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 12.8 p90 -106.82 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.4 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.354 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.456 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 0.0 OUTLIER -105.14 -17.8 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 29.41 7.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -77.66 173.92 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.5 p -120.62 118.79 31.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 51' ' ' ILE . 65.0 t -97.52 137.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 5.0 mt-10 -120.65 61.72 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.546 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 2.8 t70 -109.91 136.76 20.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -75.05 -36.68 2.51 Favored 'Cis proline' 0 C--N 1.361 1.231 0 C-N-CA 120.946 -2.523 . . . . 1.0 111.031 0.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.462 HG23 ' CG1' ' B' ' 74' ' ' VAL . 1.9 t -133.85 -173.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -54.03 -18.64 9.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 1.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -58.22 85.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 1.0 110.081 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLY . 15.8 mm-40 76.86 83.0 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -74.98 -179.06 4.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 1.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 54' ' ' PHE . 2.0 mtt180 -144.14 147.15 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.6 p -137.73 141.82 41.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.76 152.32 25.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.562 1.164 . . . . 1.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 32' ' ' ASP . 2.3 p -63.67 -13.07 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 1.0 110.433 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.72 -65.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 45' ' ' ARG . . . -68.84 -38.3 79.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 1.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.572 HG22 ' CE1' ' A' ' 30' ' ' PHE . 74.6 mt -57.61 -60.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 12.4 ttm180 -58.83 -38.65 79.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.173 . . . . 1.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.05 -49.2 69.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -73.13 -60.29 2.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 1.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.623 ' CE1' ' CG2' ' A' ' 26' ' ' ILE . 1.5 m-85 -48.3 -23.28 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 1.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -84.44 -51.53 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 1.9 m120 -62.17 -14.51 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -55.03 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.92 -16.01 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 1.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -62.16 -17.38 57.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 63' ' ' LEU . 12.4 tp -90.55 113.08 56.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 92.45 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 1.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' CD2' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -122.97 -175.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.42 93.83 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.438 HG12 ' CD2' ' A' ' 82' ' ' PHE . 24.7 t -89.69 141.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' N ' HG11 ' A' ' 65' ' ' VAL . 7.6 tt0 -160.71 143.18 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.0 110.315 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.35 160.57 32.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.479 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.7 OUTLIER 178.15 49.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -161.16 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 1.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 179.63 167.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.273 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 99.9 t -126.64 118.5 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.752 ' NH2' HD22 ' B' ' 120' ' ' ASN . 0.9 OUTLIER -89.23 81.92 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 77' ' ' GLU . . . -91.17 123.29 34.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -142.27 -146.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -42.91 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ALA . 77.2 m-20 35.42 35.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 1.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' OE1' ' CD2' ' B' ' 115' ' ' LEU . 6.5 mt-10 -125.63 161.19 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.33 95.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 1.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.514 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . . . -110.8 94.53 5.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 99' ' ' ASP . 43.2 p90 -111.94 161.39 16.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -114.6 121.13 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 33.7 p90 -125.23 169.2 12.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -107.15 159.16 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 1.0 110.374 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.553 ' CG1' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -137.51 110.15 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 m -92.41 119.24 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.071 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 93' ' ' THR . 1.2 p90 -140.86 149.35 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 1.0 110.257 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 mtpm? . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.233 -0.655 . . . . 1.0 109.233 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 1.9 m -149.84 149.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 110.472 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -131.11 116.29 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.249 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' A' ' 121' ' ' ILE . 68.1 t -94.11 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 95' ' ' VAL . . . -138.27 71.46 46.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.9 mt -116.25 121.42 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.56 125.6 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.514 ' CD2' ' HB3' ' A' ' 79' ' ' ALA . 18.5 t-160 -122.75 110.6 15.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -110.35 147.36 34.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.497 1.123 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.68 102.59 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 1.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.614 ' CE1' ' CG2' ' A' ' 109' ' ' VAL . 3.2 m-85 -69.37 161.73 28.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.303 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.614 ' CG2' ' CE1' ' A' ' 103' ' ' PHE . 12.9 t -85.83 118.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.469 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 71.3 t -114.8 -10.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 1.0 109.259 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.46 131.21 51.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.3 mtp -145.58 142.46 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 162.98 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.321 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 39' ' ' PRO . . . -139.63 170.88 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.428 HD21 ' CB ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -145.92 98.16 3.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 1.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 97' ' ' PRO . 8.7 m-85 -105.32 125.87 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -116.15 172.74 14.37 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.554 1.159 . . . . 1.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -96.15 -19.81 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 1.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -88.23 13.08 12.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 1.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.456 ' CG ' ' NH2' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -125.1 40.17 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.546 HG12 ' CG2' ' A' ' 95' ' ' VAL . 8.8 mt -133.15 138.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -124.3 115.0 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.605 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.43 160.09 25.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.65 178.63 40.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 1.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.46 ' HA ' ' CD ' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 1.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.504 0.193 . . . . 1.0 111.047 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -67.6 104.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -159.11 155.32 23.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 1.0 110.447 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -59.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 1.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -43.03 -35.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 1.0 110.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.462 ' HB2' ' CG2' ' B' ' 3' ' ' THR . 8.0 t60 -76.13 -53.63 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 109.605 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.444 ' HB3' ' CB ' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -47.8 -43.77 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 1.0 111.097 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -71.05 -52.97 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.6 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.7 -53.21 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.288 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' B' ' 80' ' ' PHE . 96.5 t -46.49 -41.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 109.374 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -52.07 48.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -54.16 -34.34 60.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.4 -58.53 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 t -50.5 -49.98 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.61 -59.44 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.78 -33.35 10.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 7.0 tp -65.77 -54.56 25.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -65.2 -13.63 58.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.74 4.44 53.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 1.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 23' ' ' LEU . . . 62.07 12.31 36.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.599 1.187 . . . . 1.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' B' ' 26' ' ' ILE . 10.1 t0 -65.52 75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.471 ' CD1' ' HB1' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -64.97 -62.88 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.208 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.62 -52.76 36.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.591 1.182 . . . . 1.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.597 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 28.6 mt -57.82 -36.64 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 0.716 . . . . 1.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.577 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 10.9 t -69.36 -26.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 1.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.33 -18.9 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -52.39 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 14.9 p90 -102.91 -178.53 3.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.45 ' CB ' HG23 ' B' ' 110' ' ' VAL . . . -49.29 176.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.01 -17.02 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' B' ' 33' ' ' ASP . 13.3 p-10 -119.07 23.35 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -68.24 165.38 18.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.2 p -115.26 140.56 48.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 1.197 . . . . 1.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' B' ' 54' ' ' PHE . 2.5 t -124.21 140.44 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.495 ' OE1' ' CA ' ' B' ' 44' ' ' PRO . 7.3 tp10 -128.69 76.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.625 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -138.88 146.8 51.54 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 1.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.625 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -74.97 -73.93 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.049 -2.48 . . . . 1.0 111.04 -0.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.504 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -157.06 152.85 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 1.0 109.241 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.602 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 148.39 -54.02 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.602 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.6 m 151.44 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 1.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' B' ' 42' ' ' SER . 7.5 pt-20 42.42 86.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 1.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.495 ' CA ' ' OE1' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -75.02 -167.2 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.772 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.72 177.66 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.63 1.206 . . . . 1.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' B' ' 50' ' ' ALA . 81.3 p -179.45 159.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.47 164.96 22.72 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.454 1.096 . . . . 1.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' B' ' 52' ' ' ARG . 2.8 p -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 1.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.3 -48.71 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 1.179 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 46' ' ' SER . . . -60.48 -52.31 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' CE1' ' B' ' 30' ' ' PHE . 52.2 mt -59.43 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 18.4 ttp180 -46.43 -41.76 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 17.9 tp10 -67.02 -40.32 87.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' B' ' 36' ' ' VAL . 1.4 t80 -66.0 -62.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.503 ' CE2' HG23 ' B' ' 26' ' ' ILE . 24.2 m-85 -56.31 -56.07 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -51.98 -53.64 39.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 23.4 t-20 -55.24 -36.94 66.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -60.87 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -56.66 -21.15 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -44.86 -26.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.469 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.9 tp -85.98 139.74 34.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.08 62.64 5.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 1.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.534 ' CD1' ' C ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.37 -175.85 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.03 108.53 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.458 HG12 ' CE2' ' B' ' 82' ' ' PHE . 26.7 t -81.17 143.39 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.06 150.15 33.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -85.2 149.69 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.515 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.7 t -179.42 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.424 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.6 OUTLIER -155.76 -150.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.453 ' OE1' ' ND2' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 1.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 90.8 t -130.32 103.55 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.456 ' NH2' ' CG ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -75.44 83.44 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' B' ' 7' ' ' MET . . . -97.57 109.13 21.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 1.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.462 ' CG1' HG23 ' A' ' 40' ' ' VAL . 1.1 p -169.23 162.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.21 50.81 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.63 32.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.558 ' HB2' ' CE1' ' B' ' 101' ' ' PHE . . . -143.71 113.28 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' B' ' 100' ' ' HIS . . . -125.94 97.88 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 1.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.565 ' CD1' HG12 ' B' ' 11' ' ' VAL . 32.0 p90 -115.73 168.03 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.484 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -122.46 126.94 48.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.523 ' CD1' ' CE2' ' B' ' 80' ' ' PHE . 36.1 p90 -131.15 177.23 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.515 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.3 OUTLIER -113.64 162.81 15.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.488 HG11 ' CD ' ' B' ' 97' ' ' PRO . 0.7 OUTLIER -138.46 125.21 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 1.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.25 115.88 30.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.927 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' B' ' 95' ' ' VAL . 3.3 p90 -137.84 141.08 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.297 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.339 -0.245 . . . . 1.0 110.339 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -126.52 138.29 53.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.583 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 68.3 m -146.97 144.96 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -128.22 116.27 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.573 HG22 ' CE1' ' B' ' 86' ' ' PHE . 60.5 t -96.57 165.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -136.91 71.87 55.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.488 ' CD ' HG11 ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.98 161.28 39.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 1.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.484 HG12 ' CB ' ' B' ' 81' ' ' ALA . 1.3 mt -115.09 117.59 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.424 ' CB ' ' CE1' ' B' ' 80' ' ' PHE . 1.3 m-20 -92.77 134.65 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.418 ' CD2' ' HB3' ' B' ' 79' ' ' ALA . 4.1 t-80 -146.79 117.82 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' B' ' 78' ' ' ALA . 1.3 p90 -140.8 164.68 29.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . 0.465 ' O ' ' CG1' ' B' ' 109' ' ' VAL . 0.6 OUTLIER -113.53 156.86 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' B' ' 102' ' ' ARG . 2.6 t -69.93 132.7 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 1.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.497 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 55.4 t -127.87 4.84 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 1.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.4 t -157.22 136.72 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 1.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.49 ' CB ' ' HB3' ' B' ' 101' ' ' PHE . 6.3 ptp -152.15 154.05 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 -151.56 152.03 32.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 1.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.41 155.43 43.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 1.0 109.387 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -139.03 111.97 7.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -96.01 -176.03 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' B' ' 121' ' ' ILE . . . -156.16 175.5 33.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 1.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -103.53 -33.75 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 1.0 110.342 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -88.68 13.05 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.356 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.752 HD22 ' NH2' ' A' ' 72' ' ' ARG . 1.4 m-80 -113.09 32.38 5.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.583 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 5.0 mp -131.84 137.38 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . 0.526 ' N ' ' CD2' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -128.51 103.15 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 109.554 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.89 168.29 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 1.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 170.52 174.61 38.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 1.0 109.347 -179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 6' ' ' HIS . 1.2 t -135.45 149.17 68.76 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.406 ' O ' ' OG1' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.1 -36.45 2.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 1.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.94 72.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.47 ' CB ' HG21 ' A' ' 3' ' ' THR . 2.4 t-160 -66.68 -47.06 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.396 1.06 . . . . 1.0 109.619 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 77' ' ' GLU . 14.4 mtm -51.59 -50.7 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 4' ' ' PRO . 8.4 m -61.37 -47.22 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -34.61 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.23 -40.73 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 109.359 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.446 HG12 ' CG ' ' A' ' 80' ' ' PHE . 10.7 t -58.16 -46.8 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -62.72 -62.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 1.0 110.35 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -42.18 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.564 ' OH ' ' CZ ' ' A' ' 55' ' ' TYR . 60.9 t80 -61.71 -56.26 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -46.03 -44.62 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.39 -59.51 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.09 15.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 23.5 tp -68.25 -57.25 6.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 65' ' ' VAL . 2.5 t30 -60.31 -16.58 35.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.94 26.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.94 31.99 41.64 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.452 1.095 . . . . 1.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -94.29 59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 0.83 . . . . 1.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 6.1 mt -40.03 -32.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -69.61 -64.04 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . -47.72 -43.44 22.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 1.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 46.9 mt -65.1 -40.94 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 1.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 24.1 t -66.97 -21.61 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 1.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.41 -21.53 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -62.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 1.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 27.7 p90 -91.15 -174.37 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' PHE . . . -48.51 176.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' CG2' ' A' ' 48' ' ' THR . 4.6 m-20 -102.75 -17.51 15.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 1.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -116.06 7.45 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -45.48 168.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 1.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.1 p -130.63 125.8 34.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.451 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 51' ' ' ILE . 46.7 t -103.21 143.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 1.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -135.32 52.86 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 1.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.503 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -114.03 139.04 23.16 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.98 -65.78 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.975 -2.51 . . . . 1.0 111.054 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.483 HG23 ' CG1' ' B' ' 74' ' ' VAL . 1.4 t -139.52 176.52 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 117.0 83.05 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.107 . . . . 1.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 41' ' ' GLY . 20.2 p -27.36 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.5 mt-10 159.38 71.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.05 147.17 33.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.542 1.812 . . . . 1.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.504 ' NE ' ' CZ ' ' A' ' 54' ' ' PHE . 1.8 mmt85 -98.94 120.96 40.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 1.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.6 p -95.58 150.28 20.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 1.0 109.943 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 153.26 27.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 1.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 30.4 p -67.75 -22.97 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 1.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -72.58 -57.89 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 45' ' ' ARG . . . -63.23 -41.23 99.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 36' ' ' VAL . 58.7 mt -64.94 -67.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -50.05 -31.49 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.3 mm-40 -62.4 -57.48 11.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 1.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CZ ' ' NE ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -56.63 -56.98 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.564 ' CZ ' ' OH ' ' A' ' 14' ' ' TYR . 10.6 m-85 -58.73 -26.2 63.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 1.0 111.062 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -72.7 -55.14 7.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -52.96 -38.71 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.2 m -69.35 -56.41 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -54.71 -19.86 7.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -40.96 -29.05 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.547 1.154 . . . . 1.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' N ' ' C ' ' A' ' 59' ' ' LEU . 9.6 tp -96.41 135.91 22.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.91 58.55 4.86 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.488 1.783 . . . . 1.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.532 HD23 ' CE1' ' A' ' 86' ' ' PHE . 3.5 pp -80.78 -175.68 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.15 106.44 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.441 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 42.9 t -84.38 155.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 1.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' LEU . 30.5 tt0 -162.47 160.2 25.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -97.65 154.0 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.495 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER -159.78 -48.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.35 -98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 178.57 -178.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.478 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 67.1 t -122.27 144.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.409 HH11 ' ND2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -122.86 96.27 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -91.49 136.67 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.47 HG13 ' CG1' ' B' ' 40' ' ' VAL . 1.5 t -139.73 -146.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.444 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . -48.63 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.269 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' VAL . 66.1 m-80 40.51 29.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.083 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -122.61 159.86 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -150.77 109.01 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 100' ' ' HIS . . . -122.92 111.42 16.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.077 . . . . 1.0 109.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 71' ' ' VAL . 17.5 p90 -126.0 165.0 19.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -117.36 119.96 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.3 p90 -120.27 169.86 9.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -110.65 154.3 24.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 110.439 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.724 ' CG2' ' CE2' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -135.27 128.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' THR . 3.5 t -108.17 98.0 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.724 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 60.1 m-85 -82.36 159.25 23.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 1.0 110.227 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mttm . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.354 -0.609 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 85' ' ' SER . 4.8 m -125.35 153.62 43.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 1.0 110.369 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 1.1 t -131.42 105.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 1.0 109.229 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 121' ' ' ILE . 46.9 t -104.5 167.02 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.451 ' O ' ' ND2' ' A' ' 120' ' ' ASN . . . -139.12 71.15 40.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 1.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 156.31 42.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.464 HG12 ' CB ' ' A' ' 81' ' ' ALA . 5.3 mt -109.77 116.9 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.409 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -98.82 133.64 42.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 113' ' ' ARG . 14.8 p-80 -143.66 125.42 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.648 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.52 177.13 8.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.4 120.6 34.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.586 ' CD2' ' CG2' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -92.83 123.04 35.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 2.9 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 tttm . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.586 ' CG2' ' CD2' ' A' ' 103' ' ' PHE . 17.2 t -68.78 124.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.482 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 48.7 t -118.76 -78.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 1.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.22 130.07 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 1.0 109.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' GLU . 25.3 ttm -150.86 131.75 14.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 100' ' ' HIS . 10.4 ttp-105 -150.78 152.76 34.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 1.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.472 ' HB1' ' CB ' ' A' ' 38' ' ' ASP . . . -119.6 170.55 9.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.434 ' CD1' ' CE1' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -151.39 103.21 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 1.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -116.34 128.32 55.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.06 -173.12 30.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -107.03 16.13 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 1.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.81 28.51 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 96' ' ' ALA . 1.1 m-20 -145.87 36.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 1.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 95' ' ' VAL . 6.1 mt -131.06 136.81 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 1.0 OUTLIER -131.38 89.54 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.58 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.58 152.34 28.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.47 176.95 46.79 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.562 1.163 . . . . 1.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 1.0 109.277 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' B' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.524 0.202 . . . . 1.0 111.028 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.5 86.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.365 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.433 ' CG2' ' SD ' ' B' ' 1' ' ' MET . 10.9 p -127.47 155.32 76.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.67 6.86 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 1.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.04 -49.13 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -69.15 -45.14 70.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 1.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.686 ' CG ' ' CZ ' ' B' ' 103' ' ' PHE . 0.0 OUTLIER -54.62 -52.35 62.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 110.952 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -60.03 -48.29 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 1.0 110.45 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.37 -41.4 51.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.05 -42.01 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 1.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.435 HG21 ' CZ ' ' B' ' 101' ' ' PHE . 3.2 t -56.99 -45.47 83.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.6 -43.38 97.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 1.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -35.86 81.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -65.69 -49.6 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 111.011 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.49 -60.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.93 -46.92 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 1.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.47 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 21.3 tp -58.98 -57.24 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.37 -21.8 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.3 -24.34 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 79.43 27.38 55.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.521 1.138 . . . . 1.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.502 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 3.7 t0 -82.57 96.37 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 0.819 . . . . 1.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.35 -72.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -48.82 -40.4 29.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.55 -64.19 3.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 55.0 mt -45.66 -40.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.576 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 12.6 t -64.37 -39.78 86.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 1.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.94 -15.9 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tt -63.4 -44.63 94.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 3.3 p90 -114.53 -178.71 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 1.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' B' ' 109' ' ' VAL . . . -47.61 173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.82 -10.07 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -120.68 9.43 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.45 162.04 2.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 1.0 109.237 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 62.2 p -125.52 129.14 49.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 1.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.468 ' CG2' HG12 ' B' ' 51' ' ' ILE . 44.6 t -105.06 145.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 8.6 tt0 -128.64 66.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 6.1 p-10 -144.91 134.65 11.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.491 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -75.04 -144.56 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.012 -2.495 . . . . 1.0 111.003 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' B' ' 114' ' ' ALA . 17.3 t -103.44 171.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.07 25.87 4.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 1.0 110.945 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p 69.93 178.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 1.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.2 65.14 0.46 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 1.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.27 146.64 44.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -144.24 136.31 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.056 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.7 160.55 23.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 1.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' B' ' 52' ' ' ARG . 2.6 p -67.83 -34.63 77.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 1.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.67 88.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.21 -63.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' B' ' 36' ' ' VAL . 84.1 mt -46.69 -38.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 48' ' ' THR . 9.3 ttt-85 -76.93 -35.43 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.43 -40.98 98.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 0.1 OUTLIER -74.99 -51.43 13.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 110.929 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.494 ' O ' ' CG ' ' B' ' 59' ' ' LEU . 6.9 m-85 -61.48 -25.11 67.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 1.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -81.34 -69.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -44.88 -29.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 44.2 m -83.77 -41.5 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.494 ' CG ' ' O ' ' B' ' 55' ' ' TYR . 6.0 mt -60.72 -20.17 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -48.78 -24.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.2 tp -106.58 140.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 17.8 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 1.0 110.955 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' B' ' 86' ' ' PHE . 13.4 mt -54.45 151.18 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.189 . . . . 1.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . 0.47 ' HB2' ' CB ' ' B' ' 85' ' ' SER . . . -113.48 60.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.419 HG11 ' N ' ' B' ' 66' ' ' GLU . 72.0 t -75.81 145.33 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.419 ' N ' HG11 ' B' ' 65' ' ' VAL . 3.5 tt0 179.38 126.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.495 ' HA ' ' CB ' ' B' ' 82' ' ' PHE . 0.4 OUTLIER -66.37 148.29 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.498 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.4 t -172.43 44.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 1.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.475 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 3.6 mt-30 -144.01 -95.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 1.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -151.01 156.41 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 1.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.766 ' H ' ' NH2' ' B' ' 72' ' ' ARG . 44.4 t -129.0 99.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.766 ' NH2' ' H ' ' B' ' 71' ' ' VAL . 5.5 mmp_? -83.67 100.41 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 1.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.417 ' CB ' ' HE1' ' B' ' 7' ' ' MET . . . -100.66 133.75 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' B' ' 76' ' ' ASN . 1.3 t -145.67 -149.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' B' ' 77' ' ' GLU . . . -45.31 91.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.1 OUTLIER 35.79 34.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 75' ' ' ALA . 1.5 mt-10 -133.08 108.39 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -107.95 121.44 44.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.436 ' HB3' ' CD2' ' B' ' 100' ' ' HIS . . . -130.65 108.04 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' B' ' 71' ' ' VAL . 15.0 p90 -125.38 162.36 24.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.475 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -109.88 135.67 50.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 109.37 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' HG2' ' B' ' 97' ' ' PRO . 49.0 p90 -137.85 166.09 24.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -103.83 160.72 14.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.43 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.516 ' CG1' ' CD ' ' B' ' 97' ' ' PRO . 0.2 OUTLIER -144.49 100.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 1.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -90.97 125.8 35.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 1.0 109.957 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 3.7 p90 -139.35 145.34 38.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 1.0 110.301 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.382 -0.229 . . . . 1.0 110.382 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -132.62 105.14 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.563 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 51.7 m -121.69 158.97 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 1.0 110.386 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.457 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.7 OUTLIER -141.06 117.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' B' ' 121' ' ' ILE . 21.4 t -95.06 169.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.22 68.83 15.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.554 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 162.71 36.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.427 HG12 ' CB ' ' B' ' 81' ' ' ALA . 39.8 mt -113.73 117.4 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 140.77 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 1.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.438 ' NE2' ' OE1' ' B' ' 77' ' ' GLU . 4.2 t-80 -151.99 113.22 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.652 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.435 ' CZ ' HG21 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -133.18 158.29 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 1.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.72 129.96 56.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.686 ' CZ ' ' CG ' ' B' ' 7' ' ' MET . 3.1 p90 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 111.041 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.558 ' CG2' ' CB ' ' B' ' 103' ' ' PHE . 7.5 t -106.92 125.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 1.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.62 -12.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' SER . . . . . 0.798 ' HG ' ' NH2' ' B' ' 113' ' ' ARG . 0.5 OUTLIER -137.7 141.05 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.041 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.402 ' SD ' ' OH ' ' B' ' 55' ' ' TYR . 9.1 ttm -157.38 141.32 16.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.798 ' NH2' ' HG ' ' B' ' 111' ' ' SER . 0.4 OUTLIER -142.6 169.64 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 1.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' B' ' 40' ' ' VAL . . . -146.04 118.04 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.55 103.95 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.591 ' C ' ' CD1' ' B' ' 116' ' ' PHE . 0.0 OUTLIER -111.76 179.32 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -161.87 178.11 37.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 1.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.449 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 19.6 mp0 -97.29 -16.62 20.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -88.99 14.18 11.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.409 ' ND2' HH11 ' A' ' 72' ' ' ARG . 0.6 OUTLIER -124.35 31.71 5.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' B' ' 95' ' ' VAL . 7.7 mt -126.28 137.13 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.223 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . 0.524 ' N ' ' CD2' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -127.15 104.49 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.639 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.65 148.97 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.84 -179.53 45.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.458 1.099 . . . . 1.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.311 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.445 ' ND2' ' OD1' ' A' ' 76' ' ' ASN . 15.9 m120 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -111.04 156.05 41.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 1.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' OG1' ' A' ' 8' ' ' THR . 18.5 Cg_endo -75.0 -30.49 7.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 1.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.7 -41.78 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 1.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -69.59 -48.12 61.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -53.85 49.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 4' ' ' PRO . 10.6 m -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -39.15 78.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.96 -49.39 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.245 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.557 HG12 ' CD2' ' A' ' 80' ' ' PHE . 25.1 t -56.34 -39.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 1.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 1.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -35.49 79.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 2.7 t80 -66.18 -42.23 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.472 1.108 . . . . 1.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -58.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.15 70.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 1.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.2 -55.79 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.0 -32.6 69.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.0 109.358 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.13 -19.64 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 1.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.29 47.33 36.87 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.532 1.145 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 2.9 t0 -98.03 90.56 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 1.0 109.371 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 42.2 mt -67.46 -50.15 60.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.96 -57.09 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.41 -50.32 48.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.605 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 75.7 mt -60.48 -35.87 65.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.509 0.77 . . . . 1.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.566 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 40.9 t -70.88 -24.4 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -20.56 25.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.8 mt -53.86 -40.79 66.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.391 1.057 . . . . 1.0 109.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.3 p90 -115.77 179.88 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 110' ' ' VAL . . . -48.68 175.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.31 -18.42 18.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -115.5 13.32 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.71 165.82 2.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.409 1.068 . . . . 1.0 109.317 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.5 p -120.62 143.38 48.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.549 1.156 . . . . 1.0 110.435 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 54' ' ' PHE . 2.5 t -125.22 140.9 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.361 1.038 . . . . 1.0 109.232 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.63 94.37 2.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.661 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -143.24 136.93 14.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.661 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.02 -82.02 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.938 -2.526 . . . . 1.0 110.992 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -156.81 156.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 1.0 109.325 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 133.6 -44.77 1.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 1.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 155.91 -178.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 1.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 7.4 tt0 66.97 63.35 0.79 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.0 -169.96 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -143.24 155.83 44.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 1.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.0 p -156.17 136.21 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 1.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 102.19 124.4 5.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 1.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -28.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 1.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.22 -57.92 8.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 109.368 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.92 85.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 30' ' ' PHE . 36.5 mt -61.89 -36.65 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' CD ' HG22 ' A' ' 27' ' ' VAL . 13.1 mmm-85 -68.68 -60.24 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 1.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.86 -31.16 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CE2' HG13 ' A' ' 36' ' ' VAL . 2.4 t80 -68.79 -68.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.445 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 11.3 m-85 -53.33 -27.89 25.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -59.8 3.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -53.38 -33.0 51.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -58.74 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 1.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.73 -20.86 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -21.78 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.7 tp -90.33 129.67 44.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 1.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 93.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 1.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -137.67 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.29 103.22 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 1.0 109.226 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.8 t -86.15 143.84 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 1.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' O ' ' OG1' ' A' ' 83' ' ' THR . 3.0 tt0 -163.4 135.64 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 1.0 110.363 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 81' ' ' ALA . 3.8 mt -69.97 175.5 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.4 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.462 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -72.72 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 1.0 110.271 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.7 176.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 65.1 t -121.92 137.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.504 ' CZ ' ' CG ' ' B' ' 120' ' ' ASN . 1.4 tpt85 -110.17 86.96 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 1.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.09 130.68 40.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 1.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.496 ' CG1' HG22 ' B' ' 40' ' ' VAL . 1.4 t -146.57 -147.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -49.53 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.445 ' OD1' ' ND2' ' A' ' 2' ' ' ASN . 30.7 m-80 37.62 41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.07 156.68 47.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.56 89.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.479 1.112 . . . . 1.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.565 ' HB1' ' CD2' ' A' ' 100' ' ' HIS . . . -108.19 105.55 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 1.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 99' ' ' ASP . 35.8 p90 -117.89 155.82 29.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 1.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.475 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -111.4 124.63 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 1.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 48.5 p90 -127.11 167.24 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.459 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -105.42 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 1.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.459 ' CG1' ' C ' ' A' ' 83' ' ' THR . 0.7 OUTLIER -152.28 122.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 t -103.34 121.01 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.562 ' CE1' HG22 ' A' ' 95' ' ' VAL . 3.6 p90 -140.72 146.27 37.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 1.0 110.248 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 40.9 m -153.75 145.25 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 1.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 t -123.7 104.57 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 1.0 109.242 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 86' ' ' PHE . 92.7 t -93.39 148.62 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.2 72.7 65.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.02 163.57 35.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.59 1.837 . . . . 1.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.554 HG23 ' CE1' ' A' ' 100' ' ' HIS . 21.7 mt -117.8 120.33 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -92.82 131.47 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 31.7 m80 -112.1 126.72 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -116.88 135.01 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 111.019 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -123.74 108.58 12.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 1.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -83.09 157.2 22.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 109.26 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 7.3 mttm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.571 HG21 ' CE2' ' A' ' 103' ' ' PHE . 2.5 t -72.23 121.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 31' ' ' ALA . 49.2 t -120.04 0.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -152.32 139.4 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.054 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.55 ' HE3' ' CD2' ' A' ' 30' ' ' PHE . 4.6 ptp -153.3 133.16 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 1.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.417 ' NE ' HG11 ' A' ' 40' ' ' VAL . 27.7 ttt180 -132.14 131.66 42.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 1.0 110.249 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -106.07 123.06 47.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 109.373 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.402 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 0.3 OUTLIER -107.34 134.6 50.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -95.65 -174.73 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 111.039 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.409 ' HA3' ' NH2' ' B' ' 72' ' ' ARG . . . -145.02 173.72 25.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 1.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -115.54 -34.0 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 1.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.407 ' NZ ' ' H ' ' B' ' 71' ' ' VAL . 18.7 pttm -102.49 15.0 30.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -113.17 28.17 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -123.09 139.24 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -127.27 96.57 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.17 157.85 16.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.25 -178.42 42.42 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.413 1.07 . . . . 1.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.592 0.819 . . . . 1.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.487 0.184 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.45 ' CG ' ' ND2' ' B' ' 76' ' ' ASN . 0.1 OUTLIER -87.66 91.2 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.373 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.494 ' CG2' ' CD2' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -141.04 154.17 67.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 110.46 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . 0.403 ' O ' ' OG1' ' B' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -25.91 11.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 1.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 3.5 mt-10 -66.94 -44.83 79.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 1.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.494 ' CD2' ' CG2' ' B' ' 3' ' ' THR . 8.6 m170 -73.48 -47.1 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 1.0 109.541 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' B' ' 73' ' ' ALA . 0.1 OUTLIER -57.47 -57.07 14.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 111.006 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' B' ' 4' ' ' PRO . 16.2 m -60.18 -44.06 95.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -58.96 -35.07 72.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.21 -49.33 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 1.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.641 ' CG2' ' CD1' ' B' ' 80' ' ' PHE . 7.5 t -53.57 -43.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.66 -54.04 51.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.091 . . . . 1.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -56.51 -37.83 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.59 ' CD2' HD22 ' B' ' 18' ' ' LEU . 77.3 t80 -63.79 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.96 -40.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 1.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.98 -60.23 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' B' ' 21' ' ' GLY . . . -56.04 -28.79 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 1.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.59 HD22 ' CD2' ' B' ' 14' ' ' TYR . 4.6 mm? -67.99 -50.29 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -59.44 -32.12 69.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.03 -15.99 32.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.478 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 61.15 42.54 99.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.1 . . . . 1.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.506 ' O ' ' CD1' ' B' ' 26' ' ' ILE . 4.9 t0 -78.67 119.85 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -74.57 -75.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.21 -27.93 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -66.96 -67.23 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 1.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 15.7 mt -51.1 -33.03 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 1.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 21.7 t -73.98 -31.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -81.94 -13.83 56.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -62.71 -44.72 95.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 2.0 p90 -114.0 -177.09 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -45.19 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 109.355 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.465 ' O ' ' CG2' ' B' ' 48' ' ' THR . 0.1 OUTLIER -94.26 -16.13 23.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.61 12.44 17.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -61.17 178.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 10.7 p -136.91 133.56 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' B' ' 54' ' ' PHE . 41.8 t -101.92 144.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.465 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 6.2 tp10 -144.2 81.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.561 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -150.05 146.45 20.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.561 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -75.1 -68.61 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.987 -2.505 . . . . 1.0 110.987 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.496 HG22 ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.04 -177.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 1.0 109.221 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.25 5.44 21.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 1.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.99 91.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 0.79 . . . . 1.0 110.072 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 179.93 65.49 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.95 39.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 1.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.507 ' HD2' ' CG ' ' B' ' 54' ' ' PHE . 0.0 OUTLIER -138.5 125.64 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.8 p -109.74 147.34 33.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.47 141.7 11.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 1.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.469 ' HB ' ' CZ ' ' B' ' 52' ' ' ARG . 1.9 p -59.49 -20.54 56.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.521 0.777 . . . . 1.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.81 -56.14 7.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' B' ' 45' ' ' ARG . . . -63.85 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' B' ' 36' ' ' VAL . 82.1 mt -65.9 -41.61 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 1.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 9.1 mtt85 -64.36 -54.12 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 1.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.84 -29.05 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 1.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' B' ' 36' ' ' VAL . 48.8 t80 -70.03 -69.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 1.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.552 ' CE2' HG22 ' B' ' 26' ' ' ILE . 32.1 m-85 -58.85 -23.99 61.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.447 1.092 . . . . 1.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -69.33 -59.15 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.454 ' ND2' ' N ' ' B' ' 58' ' ' SER . 0.9 OUTLIER -60.86 -36.97 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 1.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.454 ' N ' ' ND2' ' B' ' 57' ' ' ASN . 6.8 t -66.6 -69.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 1.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.478 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 17.4 mt -53.26 -20.03 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -39.14 -30.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 1.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 11.0 tp -88.15 139.89 30.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.01 83.88 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.76 . . . . 1.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.59 176.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.91 105.23 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.423 HG11 ' N ' ' B' ' 66' ' ' GLU . 4.6 t -79.73 140.68 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.423 ' N ' HG11 ' B' ' 65' ' ' VAL . 19.2 tt0 -163.66 115.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -73.98 146.9 43.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.562 ' N ' ' CD1' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -138.54 -43.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.485 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.9 OUTLIER -57.56 -104.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.224 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.9 -178.77 6.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 1.0 110.331 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.407 ' H ' ' NZ ' ' A' ' 119' ' ' LYS . 32.7 t -122.86 127.87 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.443 ' NE ' ' O ' ' A' ' 116' ' ' PHE . 1.6 ttm180 -102.25 76.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' B' ' 74' ' ' VAL . . . -86.94 111.5 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' B' ' 73' ' ' ALA . 2.9 t -164.81 150.12 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 51.73 63.08 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.248 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.45 ' ND2' ' CG ' ' B' ' 2' ' ' ASN . 3.1 m-20 41.14 28.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' B' ' 100' ' ' HIS . 2.4 tt0 -124.27 164.3 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -149.36 91.84 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.516 ' CB ' ' CD2' ' B' ' 100' ' ' HIS . . . -103.05 93.2 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.641 ' CD1' ' CG2' ' B' ' 11' ' ' VAL . 23.9 p90 -111.1 150.61 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.485 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -110.25 125.43 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.616 ' CD1' ' CE2' ' B' ' 80' ' ' PHE . 37.9 p90 -131.26 167.59 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 1.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -106.73 152.69 23.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 110.407 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -126.45 116.12 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 1.0 109.228 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -91.79 118.41 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 1.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.566 ' CE1' HG22 ' B' ' 95' ' ' VAL . 0.9 OUTLIER -161.36 146.14 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 1.0 111.058 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 110.336 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.297 -0.26 . . . . 1.0 110.297 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -75.69 154.19 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.334 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.47 HG21 ' CG2' ' B' ' 121' ' ' ILE . 3.0 m -153.44 149.35 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -134.9 116.99 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 1.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.566 HG22 ' CE1' ' B' ' 86' ' ' PHE . 17.6 t -96.14 168.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -142.41 67.42 20.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.415 ' CD ' HG11 ' B' ' 84' ' ' VAL . 18.3 Cg_endo -75.04 162.92 36.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 1.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' B' ' 81' ' ' ALA . 7.0 mt -116.9 116.05 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.572 ' CB ' ' CE1' ' B' ' 80' ' ' PHE . 0.4 OUTLIER -90.54 135.03 33.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.516 ' CD2' ' CB ' ' B' ' 79' ' ' ALA . 4.7 t-160 -123.97 103.26 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.553 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -91.63 149.39 21.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 1.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -134.21 111.24 10.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.573 ' CD1' HG21 ' B' ' 109' ' ' VAL . 3.5 m-30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' B' ' 103' ' ' PHE . 3.4 t -67.8 116.58 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.403 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 70.0 t -114.71 -20.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -126.8 127.32 44.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.082 . . . . 1.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.565 ' HE2' ' CE1' ' B' ' 30' ' ' PHE . 2.1 ptt? -144.78 130.01 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 1.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -134.51 178.06 7.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 1.0 110.293 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.51 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -139.52 172.52 12.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.6 104.08 2.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.491 ' CD1' ' HB2' ' B' ' 39' ' ' PRO . 0.3 OUTLIER -119.43 -178.56 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.496 ' N ' HH12 ' A' ' 72' ' ' ARG . . . -163.89 176.32 39.94 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.462 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 3.8 tp10 -91.59 11.59 23.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 1.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -118.35 16.99 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.504 ' CG ' ' CZ ' ' A' ' 72' ' ' ARG . 3.2 m120 -131.46 39.06 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.47 ' CG2' HG21 ' B' ' 93' ' ' THR . 2.5 mt -131.63 149.92 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -141.41 111.65 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.662 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.1 164.98 23.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 1.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.36 175.89 43.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 1.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 1.0 109.346 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.0 154.68 81.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' O ' ' OG1' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.03 -29.96 7.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.471 1.774 . . . . 1.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -67.85 -44.31 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.44 -46.14 64.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 1.0 109.597 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 77' ' ' GLU . 52.4 mtm -61.17 -61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 4' ' ' PRO . 10.1 m -55.06 -40.15 69.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -57.2 -45.55 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.94 -47.11 92.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.568 HG12 ' CD1' ' A' ' 80' ' ' PHE . 2.9 t -56.24 -47.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -55.6 32.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -52.45 -40.26 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.362 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.402 ' CE1' ' HZ ' ' A' ' 101' ' ' PHE . 82.5 t80 -66.59 -45.16 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 t -56.34 -51.49 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -61.93 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 1.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -43.01 -39.04 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.72 -57.02 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.8 -16.47 28.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 1.0 109.254 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -27.13 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.265 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . 76.71 45.46 13.0 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.49 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 78.3 m-20 -92.65 106.2 18.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 0.729 . . . . 1.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.7 mt -77.83 -67.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.34 -35.11 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 1.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -71.16 -68.91 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 1.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.585 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 78.3 mt -42.44 -38.16 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -68.25 -46.73 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -64.37 -15.24 60.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 1.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -54.47 28.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 1.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 18.3 p90 -105.06 -176.11 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' A' ' 110' ' ' VAL . . . -49.34 176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.89 -12.99 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 1.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.84 12.62 12.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -59.05 170.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -120.87 120.44 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 1.0 110.408 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.488 ' CG2' HG12 ' A' ' 51' ' ' ILE . 95.0 t -97.02 137.64 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HB2' ' CG ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -136.15 63.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.452 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -107.52 132.34 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.06 -52.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.02 -2.492 . . . . 1.0 111.005 0.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.475 HG23 ' CG1' ' B' ' 74' ' ' VAL . 2.5 t -114.51 -173.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -51.2 -20.12 4.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 23.7 t -53.32 88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 1.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER 81.83 77.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 1.0 110.256 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.0 Cg_endo -75.09 174.29 13.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 1.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 44' ' ' PRO . 4.1 mmt85 -150.58 148.37 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.0 p -142.36 139.77 31.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 109.956 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 153.1 25.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.464 HG23 ' CG1' ' A' ' 27' ' ' VAL . 33.3 p -63.72 -11.94 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 1.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.78 -65.16 0.83 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -69.99 -36.09 74.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.488 HG12 ' CG2' ' A' ' 36' ' ' VAL . 92.9 mt -60.37 -52.3 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -65.12 -61.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -46.1 -42.33 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 110.252 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.8 t80 -59.84 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.401 ' CZ ' HG12 ' A' ' 36' ' ' VAL . 12.6 m-85 -59.47 -18.61 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 1.0 111.043 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.7 -67.63 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -51.96 -33.95 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 1.0 109.396 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.495 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -69.21 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 1.0 110.001 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 61' ' ' LEU . 19.3 mt -54.32 -19.99 6.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.12 . . . . 1.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -40.51 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' N ' ' C ' ' A' ' 59' ' ' LEU . 6.1 tp -91.12 127.34 51.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 1.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 86' ' ' PHE . 1.5 pp -74.18 -175.71 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.74 103.69 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.28 153.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -169.55 131.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.07 154.21 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.472 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.9 t -167.95 29.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 1.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.517 ' NE2' ' CB ' ' A' ' 81' ' ' ALA . 7.5 mt-30 -143.19 -100.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 2.8 mm-40 -158.88 167.04 30.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.544 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 89.1 t -126.93 105.48 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 109.208 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.482 ' NE ' HD22 ' B' ' 120' ' ' ASN . 15.4 mmt-85 -77.26 151.77 34.94 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.544 1.152 . . . . 1.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' B' ' 118' ' ' GLU . . . -158.26 124.59 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.566 ' O ' ' N ' ' A' ' 76' ' ' ASN . 11.5 t -152.85 -132.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.597 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -36.79 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.597 ' C ' ' O ' ' A' ' 75' ' ' ALA . 1.4 m-20 22.96 50.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 75' ' ' ALA . 31.8 tt0 -152.47 159.18 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' A' ' 77' ' ' GLU . . . -145.19 125.05 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -126.62 106.37 9.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.662 ' CE2' ' CD1' ' A' ' 82' ' ' PHE . 24.4 p90 -118.96 156.17 30.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' CB ' ' NE2' ' A' ' 69' ' ' GLN . . . -113.18 131.97 55.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 1.0 109.396 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 36.5 p90 -139.03 174.61 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.472 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.79 161.25 15.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 1.0 110.374 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.743 ' CG2' ' CE2' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -142.95 125.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 93' ' ' THR . 4.3 t -106.66 104.01 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.01 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.743 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 66.7 m-85 -88.11 160.59 17.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 1.0 110.305 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.341 -0.615 . . . . 1.0 109.341 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 85' ' ' SER . 3.8 m -126.44 159.05 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 1.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -137.07 106.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 121' ' ' ILE . 41.7 t -106.07 166.45 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -138.47 69.98 46.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.487 ' CD ' HG11 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 167.09 27.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 1.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.488 ' CD1' ' HG3' ' B' ' 72' ' ' ARG . 89.3 mt -119.99 115.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.654 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -86.6 142.57 28.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.537 ' C ' ' CD2' ' A' ' 100' ' ' HIS . 0.1 OUTLIER -142.48 112.23 6.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 1.0 109.54 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.402 ' HZ ' ' CE1' ' A' ' 14' ' ' TYR . 55.1 m-85 -105.13 135.07 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.06 111.06 19.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.626 ' CE1' ' CG2' ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.04 141.66 58.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.033 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.481 ' CB ' ' CG2' ' A' ' 110' ' ' VAL . 1.6 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.626 ' CG2' ' CE1' ' A' ' 103' ' ' PHE . 3.4 t -73.18 121.69 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.481 ' CG2' ' CB ' ' A' ' 104' ' ' ASN . 46.1 t -121.49 -2.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 1.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.68 128.79 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.584 ' CE ' ' CE2' ' A' ' 30' ' ' PHE . 4.0 ptm -152.0 126.89 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -150.09 167.5 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 110.302 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 39' ' ' PRO . . . -125.96 177.91 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' B' ' 79' ' ' ALA . 0.8 OUTLIER -154.98 116.2 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.408 ' CD1' HG22 ' A' ' 40' ' ' VAL . 9.5 p90 -124.55 -172.48 2.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 1.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.71 173.95 39.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.555 1.159 . . . . 1.0 111.023 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.4 20.84 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 1.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -126.12 14.88 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.91 39.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 95' ' ' VAL . 10.2 mt -135.43 137.17 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -134.15 91.35 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 1.0 109.647 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.37 151.62 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.407 1.067 . . . . 1.0 109.289 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.14 177.87 46.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.445 1.091 . . . . 1.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 1.0 109.235 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.498 0.19 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 63.7 136.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -163.91 154.72 13.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 110.397 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . 0.401 ' O ' ' OG1' ' B' ' 8' ' ' THR . 18.0 Cg_endo -75.09 -30.86 6.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 1.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 8.8 mm-40 -67.99 -46.19 72.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.0 110.344 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.461 ' HB2' ' CG2' ' B' ' 3' ' ' THR . 2.2 t60 -69.51 -43.21 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.441 ' HG2' ' CZ ' ' B' ' 103' ' ' PHE . 52.9 mtm -62.82 -62.85 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 4' ' ' PRO . 7.9 m -54.23 -39.25 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -66.49 -36.2 82.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' B' ' 29' ' ' LEU . 3.0 t -64.27 -39.67 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' B' ' 80' ' ' PHE . 18.4 t -67.81 -44.21 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.85 -51.01 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -60.86 -37.31 81.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 110.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.464 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 13.0 t80 -65.17 -46.67 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.0 t -58.03 -60.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.49 45.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 1.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -42.03 65.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.427 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 16.3 tp -56.06 -53.56 55.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -63.47 -21.8 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.278 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.19 56.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 1.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.86 28.79 73.94 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 9.6 t0 -86.56 85.86 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 0.73 . . . . 1.0 109.378 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' B' ' 59' ' ' LEU . 20.9 mt -68.92 -47.21 66.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.07 . . . . 1.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.88 -57.46 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 1.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.94 -59.49 10.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 56.9 mt -41.95 -38.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.584 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 4.8 t -67.51 -49.61 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 1.0 109.396 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -63.63 -12.9 37.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' B' ' 10' ' ' VAL . 0.3 OUTLIER -63.05 -43.32 98.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 1.0 OUTLIER -117.06 -177.49 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.63 166.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 1.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -87.23 -22.24 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -111.26 4.83 19.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.515 ' CB ' ' HE3' ' B' ' 112' ' ' MET . . . -41.05 150.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.7 p -116.52 109.56 17.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 1.0 110.408 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' SD ' ' B' ' 112' ' ' MET . 46.3 t -91.86 137.16 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -124.36 71.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 1.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.586 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -134.06 142.24 42.55 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.586 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.6 Cg_endo -74.94 -70.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.03 -2.488 . . . . 1.0 111.03 -0.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.483 HG13 ' CB ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -154.3 150.93 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 155.29 -59.01 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.9 m 150.08 -178.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 0.79 . . . . 1.0 110.043 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 49.11 88.99 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 143.99 30.12 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 1.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.516 ' NH2' ' CD2' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -79.45 100.56 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -96.82 123.83 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.945 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 50' ' ' ALA . . . 119.39 123.77 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -41.94 -27.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 1.0 110.412 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -68.62 -48.7 63.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' B' ' 45' ' ' ARG . . . -68.64 -39.65 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.574 HG22 ' CE1' ' B' ' 30' ' ' PHE . 81.8 mt -59.04 -59.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -64.11 -28.77 70.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -57.39 -58.18 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.516 ' CD2' ' NH2' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -65.92 -44.46 85.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 1.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' B' ' 51' ' ' ILE . 5.4 m-85 -58.08 -31.28 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' B' ' 59' ' ' LEU . . . -79.15 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -45.02 -27.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 56' ' ' ALA . 3.1 t -87.8 -38.76 15.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 1.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' B' ' 56' ' ' ALA . 0.3 OUTLIER -61.08 -21.74 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 1.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -23.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.495 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -104.35 140.41 21.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . 0.495 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 57.9 4.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 1.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' B' ' 84' ' ' VAL . 2.8 mt -53.54 156.5 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.53 66.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.525 HG12 ' CD2' ' B' ' 82' ' ' PHE . 72.1 t -76.66 143.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.42 ' N ' HG11 ' B' ' 65' ' ' VAL . 7.1 pt-20 -168.23 135.16 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.43 141.35 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.523 ' CG2' ' NE2' ' B' ' 69' ' ' GLN . 0.9 OUTLIER -131.64 7.84 4.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 1.0 110.376 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.523 ' NE2' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -141.57 -83.5 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 1.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 171.2 -173.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 1.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.555 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 79.3 t -113.82 140.34 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' B' ' 79' ' ' ALA . 3.0 mmt85 -107.39 81.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.235 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -83.46 153.46 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.542 ' CG1' ' N ' ' B' ' 75' ' ' ALA . 2.3 p -175.51 -148.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.542 ' N ' ' CG1' ' B' ' 74' ' ' VAL . . . -38.67 93.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 1.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.6 OUTLIER 31.97 41.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 1.1 tt0 -135.36 159.49 41.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -150.6 88.57 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' B' ' 72' ' ' ARG . . . -100.23 93.61 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 43.2 p90 -108.99 156.8 19.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.419 ' HB2' ' CD ' ' B' ' 69' ' ' GLN . . . -118.34 136.89 53.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . 0.525 ' CD2' HG12 ' B' ' 65' ' ' VAL . 45.9 p90 -145.71 168.92 19.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 1.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.44 ' CG2' HG23 ' B' ' 68' ' ' THR . 0.1 OUTLIER -105.07 163.04 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 110.379 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.548 ' CG1' ' CD ' ' B' ' 97' ' ' PRO . 0.4 OUTLIER -142.52 101.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.0 109.336 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.21 125.04 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 3.5 p90 -144.72 137.81 26.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 111.034 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.282 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.29 -0.263 . . . . 1.0 110.29 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.428 ' HB2' ' CB ' ' B' ' 125' ' ' ALA . 23.3 mtmm -127.94 106.2 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' THR . . . . . 0.566 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 5.2 m -104.79 145.84 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 1.7 p -130.74 116.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 1.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.476 HG23 ' CG2' ' B' ' 121' ' ' ILE . 46.7 t -103.31 167.27 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.493 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -138.68 70.49 44.36 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.548 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.97 162.28 37.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 1.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 7.5 mt -123.84 123.49 67.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.1 OUTLIER -101.56 140.52 35.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -131.58 99.51 4.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.457 1.098 . . . . 1.0 109.59 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.456 ' CE1' ' HG2' ' B' ' 112' ' ' MET . 12.6 m-85 -88.02 144.91 26.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -126.1 129.55 49.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 1.0 110.328 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.594 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 10.6 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.594 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 18.9 t -77.59 116.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 1.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.509 ' C ' ' CE ' ' B' ' 112' ' ' MET . 59.5 t -127.93 2.2 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.115 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' SER . . . . . 0.515 ' N ' ' CE ' ' B' ' 112' ' ' MET . 0.4 OUTLIER -144.5 116.08 8.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 1.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.515 ' CE ' ' N ' ' B' ' 111' ' ' SER . 0.0 OUTLIER -128.03 125.18 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 1.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -124.26 120.7 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.367 1.042 . . . . 1.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -116.73 151.11 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' B' ' 40' ' ' VAL . 5.3 mp -134.27 124.82 26.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -143.45 154.34 43.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 1.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' B' ' 121' ' ' ILE . . . 90.57 171.96 44.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER 72.29 61.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER 90.22 -20.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 1.0 109.353 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 96' ' ' ALA . 0.8 OUTLIER -69.27 -14.16 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 1.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' B' ' 117' ' ' GLY . 0.4 OUTLIER -92.9 140.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 1.0 109.202 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . 0.405 ' HB2' ' CG1' ' B' ' 94' ' ' VAL . 62.7 m-70 -135.61 88.63 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 109.586 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.67 147.12 33.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 1.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' B' ' 92' ' ' LYS . . . -163.31 173.59 39.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 1.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.444 ' CG2' ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -147.99 154.96 43.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.04 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.89 -40.3 96.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.444 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 4.4 t-160 -72.95 -47.99 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.622 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.37 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 1.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -61.88 -50.61 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 1.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.98 -35.03 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 t -65.91 -51.6 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 80' ' ' PHE . 2.9 t -49.35 -49.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -43.91 98.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -59.14 -37.95 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.9 -52.44 36.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 1.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.15 -52.14 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 18' ' ' LEU . . . -60.81 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.44 -31.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' ALA . 14.1 tp -68.91 -59.34 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.65 -17.15 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.36 -32.42 24.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.75 32.58 23.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 1.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.502 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 1.9 m-20 -84.38 94.72 8.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 5.2 mt -71.85 -56.9 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -62.43 -41.43 98.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -63.42 -63.51 4.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 46.8 mt -47.42 -38.06 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 1.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 55.7 t -67.18 -37.91 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -74.05 -17.17 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.47 -46.81 88.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 1.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 6.9 p90 -112.49 -176.37 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.54 179.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.48 ' O ' ' CG2' ' A' ' 48' ' ' THR . 4.1 m-20 -104.34 -18.5 14.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.35 32.78 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -75.73 161.42 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 39.2 p -106.24 126.06 51.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 1.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.475 ' CG2' HG12 ' A' ' 51' ' ' ILE . 60.8 t -100.07 137.36 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 15.1 mt-10 -132.7 68.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.466 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -115.38 137.58 23.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 116' ' ' PHE . 18.2 Cg_endo -75.01 -44.39 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.014 -2.494 . . . . 1.0 110.941 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.579 ' CG2' ' CG1' ' B' ' 74' ' ' VAL . 2.4 t -117.44 -174.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 1.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' H ' ' CG1' ' A' ' 40' ' ' VAL . . . -51.26 -20.63 5.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.138 . . . . 1.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -41.23 109.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 1.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 41.53 83.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 110.306 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -176.47 2.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 1.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -162.24 -178.52 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 1.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 47.7 p -173.21 159.01 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 100.06 122.45 4.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 28.7 p -41.7 -27.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 1.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -59.76 -62.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.491 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -63.32 -49.19 74.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 1.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.546 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.1 mt -49.61 -36.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -71.52 -71.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.85 -31.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 4.1 m-85 -70.82 -62.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.499 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 9.4 m-85 -60.99 -14.23 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.63 -67.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' PHE . 6.8 p-10 -56.71 -21.53 28.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.0 m -82.63 -47.56 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 55' ' ' TYR . 9.1 mt -63.11 -22.25 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.37 -21.35 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.13 139.92 21.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 55.34 3.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 1.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -81.08 138.56 35.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.425 ' N ' HD23 ' A' ' 63' ' ' LEU . . . -118.29 99.13 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 63' ' ' LEU . 3.7 t -98.1 141.01 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -163.65 134.01 4.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 1.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 82' ' ' PHE . 1.6 pp -71.07 141.65 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.486 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.7 t -164.01 42.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -143.25 -59.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 110.259 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER 161.61 160.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.285 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 61.9 t -129.82 116.67 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' NH2' ' CB ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -103.25 107.15 17.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.43 126.56 46.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.447 HG21 ' CA ' ' B' ' 117' ' ' GLY . 0.9 OUTLIER -128.19 -146.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -49.59 97.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 39.51 30.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' ALA . 6.6 mt-10 -123.88 157.76 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.32 101.14 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.65 105.68 14.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CE1' ' HB3' ' A' ' 99' ' ' ASP . 38.4 p90 -121.07 161.75 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.484 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -114.53 130.79 56.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 67' ' ' LEU . 51.2 p90 -136.7 167.78 20.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.486 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -102.6 158.77 16.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.413 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.575 ' CG1' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -140.3 105.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 t -97.18 132.74 42.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.952 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 7.5 p90 -156.84 147.7 21.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.283 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.47 ' HE3' ' CB ' ' A' ' 125' ' ' ALA . 4.4 ptpp? . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.563 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 26.1 m -125.49 144.79 50.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -128.88 114.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.5 t -95.94 168.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.54 66.66 18.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.575 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.95 169.7 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.474 HG23 ' CZ ' ' B' ' 72' ' ' ARG . 4.2 mt -121.78 118.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 1.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.523 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -91.1 148.37 22.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.56 118.71 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.584 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -107.57 140.01 41.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -126.05 100.07 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.658 ' CZ ' ' CG2' ' A' ' 109' ' ' VAL . 2.8 m-85 -72.52 146.02 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.7 m120 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.658 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 19.7 t -65.92 120.62 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.469 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 66.4 t -127.82 4.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.81 130.06 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 1.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.48 143.0 29.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.478 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 43.9 ttp180 -148.88 147.08 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 39' ' ' PRO . . . -116.02 178.76 4.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -151.05 113.39 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 3.8 p90 -124.16 124.09 41.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -94.84 -175.65 38.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 1.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.04 2.27 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 1.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HE2' ' CG ' ' B' ' 70' ' ' GLU . 0.0 OUTLIER -116.49 12.39 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -114.62 26.06 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.49 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 1.7 mp -123.5 137.94 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -129.82 99.79 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.85 156.54 20.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -170.38 172.75 44.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.47 ' CB ' ' HE3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.48 0.181 . . . . 1.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 m120 55.98 177.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -104.52 155.47 37.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 1.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.17 8.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.449 1.763 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -44.7 68.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -69.51 -46.01 67.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 1.0 109.599 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -60.04 -59.54 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.963 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.7 m -54.69 -42.33 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.8 t -58.69 -42.32 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.565 HG13 ' CD1' ' B' ' 80' ' ' PHE . 7.0 t -64.27 -45.84 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -41.14 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.466 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 5.3 t80 -58.24 -53.38 58.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.14 -56.15 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.99 -44.56 15.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.11 92.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.443 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 27.0 tp -57.15 -47.55 80.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -62.78 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.06 -14.02 62.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 1.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.46 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 77.37 21.56 72.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.5 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 1.9 m-20 -68.86 73.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.481 ' CD1' ' HB1' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -59.08 -46.9 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 1.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.47 -63.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.89 -35.18 4.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.554 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 38.1 mt -72.4 -43.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 25.1 t -68.43 -15.41 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.83 -24.48 14.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -51.48 -53.4 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 24.0 p90 -100.05 -174.0 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 1.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -50.77 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.458 ' O ' ' CG2' ' B' ' 48' ' ' THR . 1.5 m-20 -109.7 -11.79 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -122.52 15.35 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.07 167.39 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 73.2 p -122.94 129.57 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' B' ' 51' ' ' ILE . 38.7 t -105.04 148.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 2.6 mt-10 -132.98 61.97 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.45 ' HB2' ' CB ' ' B' ' 114' ' ' ALA . 38.1 t0 -141.15 129.58 12.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . 0.429 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.0 -143.7 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.973 -2.511 . . . . 1.0 111.006 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' B' ' 114' ' ' ALA . 6.6 t -116.34 150.87 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 176.96 -66.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 1.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.66 54.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 1.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.83 86.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.44 154.34 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 110.254 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -143.5 132.76 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.83 147.68 16.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 30.2 p -62.69 -12.91 26.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 1.0 110.421 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.0 62.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.475 HG23 ' CE1' ' B' ' 30' ' ' PHE . 4.1 mt -52.64 -52.32 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' B' ' 48' ' ' THR . 50.3 ttm-85 -66.09 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 26.6 mt-10 -41.52 -30.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -75.33 -66.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -47.15 -45.82 22.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.481 ' HB1' ' CD1' ' B' ' 23' ' ' LEU . . . -65.93 -50.57 63.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 10.2 t30 -50.95 -27.54 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -55.62 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' B' ' 23' ' ' LEU . 0.1 OUTLIER -53.66 -19.75 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -39.58 -29.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 86' ' ' PHE . 15.7 tp -94.24 136.99 22.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.69 4.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 1.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.51 -175.82 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 1.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.67 103.45 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 1.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' CG1' ' B' ' 84' ' ' VAL . 61.9 t -91.3 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.431 ' OE2' ' N ' ' B' ' 67' ' ' LEU . 12.1 tp10 -161.88 136.74 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' ' OE2' ' B' ' 66' ' ' GLU . 11.8 mt -71.22 159.58 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' B' ' 68' ' ' THR . 1.3 t 179.68 35.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 110.43 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.498 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.3 OUTLIER -144.49 -92.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.457 ' CG ' ' HE2' ' A' ' 119' ' ' LYS . 2.8 tm-20 -172.65 169.12 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 60.8 t -135.42 93.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.474 ' CZ ' HG23 ' A' ' 98' ' ' ILE . 1.5 ptp180 -76.23 153.62 35.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.471 ' HB2' ' CE ' ' B' ' 7' ' ' MET . . . -148.87 135.19 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.579 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 1.8 t -152.64 -139.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.602 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -35.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ASN . . . . . 0.602 ' C ' ' O ' ' B' ' 75' ' ' ALA . 4.5 t-20 23.96 52.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' B' ' 75' ' ' ALA . 6.6 pt-20 -152.32 154.63 36.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.3 131.51 19.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' CZ ' ' B' ' 72' ' ' ARG . . . -131.38 120.85 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 28.0 p90 -127.59 158.97 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.498 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -117.48 128.78 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -135.15 173.47 11.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.419 ' OG1' HG23 ' B' ' 68' ' ' THR . 0.0 OUTLIER -110.23 158.9 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 2.2 m -143.61 113.84 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 15.0 m -98.07 123.8 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' B' ' 84' ' ' VAL . 21.5 m-85 -118.03 168.88 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 1.0 110.31 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.288 -0.264 . . . . 1.0 110.288 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -156.15 146.36 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 43.9 m -138.29 163.64 31.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 1.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.536 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 1.9 t -145.34 85.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' B' ' 116' ' ' PHE . 39.7 t -87.17 144.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . 0.5 ' N ' HG11 ' B' ' 95' ' ' VAL . . . -123.38 71.6 46.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' PRO . . . . . 0.465 ' HD3' ' C ' ' B' ' 95' ' ' VAL . 18.4 Cg_endo -75.02 164.2 33.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' B' ' 81' ' ' ALA . 4.8 mt -123.3 114.17 40.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.617 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -81.92 150.77 27.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 1.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -149.27 95.19 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.636 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' B' ' 112' ' ' MET . 7.4 m-30 -91.22 153.68 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . 0.461 ' CZ ' ' HD2' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -126.24 112.98 16.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.583 ' CD2' HG21 ' B' ' 109' ' ' VAL . 6.0 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -71.29 118.41 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' B' ' 110' ' ' VAL . 38.9 t -128.32 5.41 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.2 p -162.11 150.86 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.561 ' HB2' ' CD1' ' B' ' 101' ' ' PHE . 3.3 ptp -170.04 146.69 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 1.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.469 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.8 OUTLIER -129.3 166.74 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 110.255 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . 0.491 ' O ' ' CG2' ' B' ' 40' ' ' VAL . . . -132.14 104.23 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 92.72 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' B' ' 95' ' ' VAL . 0.5 OUTLIER -112.75 79.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . 0.447 ' CA ' HG21 ' A' ' 74' ' ' VAL . . . -68.12 -173.97 7.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -114.94 58.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 1.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' B' ' 120' ' ' ASN . 3.3 ttmm -157.24 33.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' B' ' 119' ' ' LYS . 4.0 m-80 -158.91 29.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' B' ' 118' ' ' GLU . 4.2 mp -109.96 137.09 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' HIS . . . . . 0.49 ' N ' ' CD2' ' B' ' 122' ' ' HIS . 1.2 m-70 -124.58 91.17 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.26 152.21 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.78 179.61 48.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.46 1.1 . . . . 1.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 1.0 109.298 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.541 0.21 . . . . 1.0 111.066 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 76' ' ' ASN . 0.4 OUTLIER 62.44 130.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 1.0 109.366 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.0 p -100.01 155.07 36.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 1.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -27.42 10.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 9.8 pt-20 -68.52 -46.08 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 110.356 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -70.27 -48.99 54.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 77' ' ' GLU . 65.3 mtm -60.4 -60.29 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 36.7 m -54.19 -42.73 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 1.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -57.62 -41.07 80.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -62.46 -46.72 95.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 80' ' ' PHE . 3.4 t -57.85 -40.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.8 -58.82 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 1.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -53.01 -34.66 57.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' OH ' ' CE2' ' A' ' 55' ' ' TYR . 34.9 t80 -67.26 -47.03 71.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.14 -50.14 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 1.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.73 29.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -40.1 57.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 12.0 tp -58.23 -55.23 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -60.79 -21.9 63.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.21 36.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.32 19.31 66.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.13 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -77.79 94.16 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 1.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -50.83 14.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.73 -55.71 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -57.31 20.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.591 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 48.3 mt -46.24 -39.14 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.433 0.725 . . . . 1.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.4 t -65.86 -44.25 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 1.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -16.86 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.03 85.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 1.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.2 p90 -116.5 -176.09 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' CB ' HG21 ' A' ' 110' ' ' VAL . . . -50.18 178.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.466 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 2.1 p-10 -105.01 -17.85 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -117.91 25.43 10.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -74.7 170.06 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.402 ' O ' ' SD ' ' A' ' 112' ' ' MET . 41.6 p -125.46 125.88 44.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 110.405 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.476 ' CG2' HG12 ' A' ' 51' ' ' ILE . 24.0 t -107.85 148.01 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' N ' HG11 ' A' ' 36' ' ' VAL . 4.1 mt-10 -136.76 102.57 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.603 ' O ' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -143.0 121.83 7.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.55 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.98 -84.3 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.978 -2.509 . . . . 1.0 110.999 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.443 HG13 ' CB ' ' B' ' 75' ' ' ALA . 0.6 OUTLIER -142.9 145.12 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.53 25.56 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.472 ' CB ' ' HD2' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -112.61 49.88 0.9 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.533 0.784 . . . . 1.0 110.005 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 59.33 95.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 143.9 29.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 1.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.581 ' CD ' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -101.73 160.1 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.384 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p -147.9 136.31 21.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 110.03 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . 96.17 134.39 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 1.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 32' ' ' ASP . 8.6 p -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 1.0 110.414 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -66.83 -55.33 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 109.368 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB3' ' CG ' ' A' ' 45' ' ' ARG . . . -67.62 -54.48 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.511 HG22 ' CE1' ' A' ' 30' ' ' PHE . 98.8 mt -44.84 -45.4 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 1.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -68.42 -41.18 80.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.22 -48.38 73.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 38' ' ' ASP . 0.1 OUTLIER -69.09 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.57 ' CE2' HG23 ' A' ' 26' ' ' ILE . 5.8 m-85 -42.91 -30.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.47 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 1.0 109.219 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -54.3 -20.33 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 1.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -59.42 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.416 ' C ' ' N ' ' A' ' 61' ' ' LEU . 1.3 mt -56.51 -19.01 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -45.19 -26.63 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 59' ' ' LEU . 12.2 tp -99.57 133.51 21.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.07 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -131.38 167.42 19.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.09 113.01 10.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 1.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.523 HG12 ' CD1' ' A' ' 82' ' ' PHE . 13.5 t -86.35 149.06 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' OG1' ' A' ' 83' ' ' THR . 8.2 pt-20 -157.59 143.08 17.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 1.0 110.247 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.32 139.22 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.425 HG21 ' NE2' ' A' ' 69' ' ' GLN . 3.5 t -141.16 14.15 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -148.16 -88.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 110.29 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' OE2' ' CD ' ' B' ' 119' ' ' LYS . 0.0 OUTLIER 173.46 -174.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.362 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.534 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 73.9 t -115.43 148.19 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -112.99 79.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -88.64 133.04 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' HG22 ' B' ' 40' ' ' VAL . 1.5 t -148.62 -147.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 1.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -50.46 100.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 2' ' ' ASN . 1.5 t-20 37.54 34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 75' ' ' ALA . 13.7 mt-10 -127.77 154.24 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.382 1.052 . . . . 1.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -153.08 88.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 72' ' ' ARG . . . -108.22 100.55 9.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.673 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 53.3 p90 -112.38 162.97 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -120.08 129.39 54.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.523 ' CD1' HG12 ' A' ' 65' ' ' VAL . 47.8 p90 -136.11 162.74 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -102.63 156.11 17.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 1.0 110.395 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -130.93 116.95 35.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 1.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.66 120.58 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 1.0 110.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 95' ' ' VAL . 2.5 p90 -153.22 138.54 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 1.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -133.88 132.33 40.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 2.5 p90 -146.5 147.82 31.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 1.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 54.4 50.17 16.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 1.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.93 26.67 19.3 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 1.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -128.93 113.32 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 1.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 149.02 25.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.58 1.175 . . . . 1.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.602 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 88.3 m -156.15 145.24 20.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 110.412 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -132.48 117.79 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 86' ' ' PHE . 4.9 t -98.04 165.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' O ' ' ND2' ' A' ' 120' ' ' ASN . . . -143.42 64.67 14.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 96' ' ' ALA . 18.1 Cg_endo -75.07 163.06 35.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 1.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' B' ' 72' ' ' ARG . 5.5 mt -115.86 119.07 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -88.3 123.03 32.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 1.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -114.21 105.78 13.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 109.574 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -111.44 133.28 53.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.479 ' HG3' ' CB ' ' A' ' 111' ' ' SER . 4.7 ptm180 -115.15 117.28 30.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.554 ' CD2' HG21 ' A' ' 109' ' ' VAL . 6.5 m-85 -89.13 147.23 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 104' ' ' ASN . 39.9 p-10 -135.28 175.14 9.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.75 -56.24 1.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.459 1.1 . . . . 1.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' O ' ' ND2' ' A' ' 2' ' ' ASN . . . -174.88 -39.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 1.0 109.301 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.43 37.41 0.15 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 1.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.36 115.29 24.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 1.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 103' ' ' PHE . 2.2 t -74.52 120.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 1.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.455 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 77.7 t -117.76 -5.82 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -142.06 131.96 24.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.039 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -143.0 117.35 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 110.957 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.5 ttm105 -132.97 130.76 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.206 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.85 172.32 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.446 HD23 ' CB ' ' B' ' 79' ' ' ALA . 0.4 OUTLIER -144.56 104.74 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -123.55 129.58 51.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.049 . . . . 1.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -104.97 175.08 21.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -37.02 64.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 1.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.455 ' NZ ' ' HG1' ' B' ' 8' ' ' THR . 0.0 OUTLIER -87.65 12.5 12.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.468 ' CG ' ' NH1' ' B' ' 72' ' ' ARG . 12.2 t-20 -97.79 10.2 40.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.602 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 4.4 mt -124.76 146.64 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -133.37 102.4 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 109.653 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.68 168.36 18.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.5 -178.66 40.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 1.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.577 0.81 . . . . 1.0 109.262 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.406 0.146 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 p30 167.25 124.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 1.0 109.259 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.92 154.7 40.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 1.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.59 14.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 1.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -55.93 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.359 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -68.05 -42.41 80.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 1.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.585 ' HG2' ' CZ ' ' B' ' 103' ' ' PHE . 12.2 mtm -57.95 -51.61 68.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 1.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.455 ' HG1' ' NZ ' ' A' ' 119' ' ' LYS . 78.5 m -58.58 -49.98 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 1.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.14 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 t -59.17 -46.48 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.616 1.198 . . . . 1.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' B' ' 80' ' ' PHE . 7.4 t -54.2 -42.12 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.77 -48.57 81.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -42.63 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 80.6 t80 -60.69 -50.86 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.22 -52.8 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.68 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 1.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.458 ' CB ' HG12 ' B' ' 26' ' ' ILE . . . -62.97 -28.28 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -72.59 -56.68 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 1.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -53.95 -49.27 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.23 -26.63 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 68.7 50.87 33.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 1.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' B' ' 17' ' ' ALA . 1.4 p-10 -109.46 97.05 6.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 5.7 mt -64.78 -45.46 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -45.05 73.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.97 -65.44 2.7 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 1.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' B' ' 30' ' ' PHE . 60.2 mt -43.55 -37.67 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 37.4 t -68.38 -44.39 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -68.84 -12.81 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 1.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.6 tt -72.4 -66.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 1.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' B' ' 26' ' ' ILE . 49.4 p90 -87.01 174.51 8.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' B' ' 30' ' ' PHE . . . -47.07 172.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.478 ' O ' ' CG2' ' B' ' 48' ' ' THR . 0.4 OUTLIER -100.14 -13.22 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -121.42 17.45 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -61.98 179.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 48.9 p -133.29 124.35 27.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 1.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.478 ' CG2' HG12 ' B' ' 51' ' ' ILE . 65.1 t -97.73 138.28 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 35.6 tt0 -139.63 67.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 1.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' B' ' 54' ' ' PHE . 0.0 OUTLIER -140.09 141.8 28.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 1.0 109.349 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.532 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.0 Cg_endo -75.05 -66.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.015 -2.494 . . . . 1.0 110.947 0.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -157.46 -175.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 1.0 109.24 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.88 2.7 8.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 1.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.05 72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 0.736 . . . . 1.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -168.98 64.0 0.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.455 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.0 144.17 29.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 1.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' B' ' 50' ' ' ALA . 10.0 mtt180 -117.37 141.73 47.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.6 p -116.23 148.49 40.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 1.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.4 148.04 23.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 1.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 30.2 p -64.66 -17.24 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 1.0 110.358 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.485 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.58 -61.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.463 ' HB3' ' CG ' ' B' ' 45' ' ' ARG . . . -67.12 -37.2 83.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 28.0 mt -62.62 -65.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' B' ' 48' ' ' THR . 0.0 OUTLIER -53.8 -44.19 69.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 6.4 mm-40 -50.9 -49.14 60.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 1.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' B' ' 38' ' ' ASP . 15.5 t80 -68.81 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.461 ' HB3' ' CD2' ' B' ' 23' ' ' LEU . 0.9 OUTLIER -42.45 -28.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 110.999 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.94 -56.3 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 10.2 t-20 -55.24 -23.1 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 23.4 t -81.17 -58.87 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.434 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.9 OUTLIER -56.49 -18.77 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -45.17 -26.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' B' ' 59' ' ' LEU . 10.9 tp -90.19 132.37 36.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 75.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.396 1.735 . . . . 1.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.21 170.27 8.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.11 105.92 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' B' ' 82' ' ' PHE . 4.2 t -82.76 142.37 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 1.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.403 ' N ' HG11 ' B' ' 65' ' ' VAL . 8.2 pt-20 -161.14 141.2 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.14 152.73 43.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.473 HG23 ' CG2' ' B' ' 83' ' ' THR . 1.5 t -154.76 22.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 110.34 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.445 ' CD ' ' HB2' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -147.99 -86.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.366 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.425 ' HB3' ' NH2' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -179.22 -177.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.547 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 70.4 t -123.66 139.1 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -110.84 83.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 1.0 110.331 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -83.63 101.9 11.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 2.5 t -152.56 158.85 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.25 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.449 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 55.06 55.16 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 1.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 75' ' ' ALA . 20.7 p30 38.95 30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' B' ' 74' ' ' VAL . 6.0 pt-20 -145.54 140.56 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -98.63 124.53 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.446 ' CB ' HD23 ' A' ' 115' ' ' LEU . . . -128.07 88.79 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' B' ' 99' ' ' ASP . 38.6 p90 -110.78 172.7 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.481 ' HB3' ' CG1' ' B' ' 98' ' ' ILE . . . -124.65 132.01 53.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' B' ' 65' ' ' VAL . 38.6 p90 -136.88 169.96 16.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 1.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -113.8 165.38 12.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 1.0 110.399 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -137.61 114.79 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 1.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.67 126.97 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.932 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' B' ' 93' ' ' THR . 3.2 p90 -158.47 136.55 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 1.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.46 150.23 27.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' B' ' 89' ' ' GLN . 0.4 OUTLIER -110.28 75.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.0 111.061 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' B' ' 88' ' ' TYR . 5.1 pm0 35.33 80.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.83 -28.24 15.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 -97.26 164.74 12.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 1.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -133.15 143.12 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 26.0 m -155.73 143.16 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.351 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 1.4 p -135.93 120.05 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' B' ' 86' ' ' PHE . 20.5 t -97.57 162.69 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -138.82 68.87 43.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.521 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 1.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.481 ' CG1' ' HB3' ' B' ' 81' ' ' ALA . 1.3 mt -113.33 124.35 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 0.3 OUTLIER -96.09 118.57 32.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' B' ' 100' ' ' HIS . 0.2 OUTLIER -135.05 115.21 13.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.489 ' HB3' ' CB ' ' B' ' 112' ' ' MET . 4.3 p90 -146.63 158.38 43.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -107.04 151.67 25.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 110.216 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.585 ' CZ ' ' HG2' ' B' ' 7' ' ' MET . 3.2 p90 -169.47 170.07 8.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' B' ' 108' ' ' LYS . 2.4 t30 -94.39 137.36 33.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 1.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.634 ' O ' ' CB ' ' B' ' 106' ' ' ALA . . . -42.91 97.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 1.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . 0.634 ' CB ' ' O ' ' B' ' 105' ' ' GLY . . . 151.23 -20.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 0.733 . . . . 1.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.05 25.74 4.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 1.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -87.79 73.15 9.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 0.737 . . . . 1.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.476 HG21 ' CB ' ' B' ' 103' ' ' PHE . 1.8 t -90.82 124.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.476 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 59.7 t -118.82 -8.45 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -149.37 133.73 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 110.074 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.489 ' CB ' ' HB3' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -147.74 146.73 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 111.031 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' B' ' 114' ' ' ALA . 0.6 OUTLIER -152.82 140.01 19.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 1.0 110.226 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.502 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -109.04 168.33 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.54 107.9 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 1.0 109.235 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' B' ' 117' ' ' GLY . 0.1 OUTLIER -124.05 -175.45 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 111.014 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' B' ' 116' ' ' PHE . . . -178.49 179.61 48.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' B' ' 119' ' ' LYS . 16.9 pt-20 -67.94 -42.98 80.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 1.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 1.4 mttp -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 1.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.484 ' OD1' ' CZ ' ' A' ' 72' ' ' ARG . 37.4 m-80 -73.23 -15.2 61.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.437 ' C ' ' CD2' ' B' ' 122' ' ' HIS . 7.2 mt -95.69 134.72 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 1.0 109.249 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.0 OUTLIER -127.88 94.62 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 1.0 109.571 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.38 172.66 5.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 162.65 179.15 37.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.986 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.29 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.532 0.206 . . . . 1.0 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' ALA . 64.6 t-20 -65.15 97.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.437 ' CG2' ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -157.6 154.82 26.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 1.0 110.422 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.93 3.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.459 1.768 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.1 -43.09 96.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 1.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 1.6 t60 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -52.19 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 1.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -66.92 -50.43 62.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 110.401 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.32 -50.23 40.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' ARG . 7.9 t -56.67 -59.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.555 HG12 ' CD1' ' A' ' 80' ' ' PHE . 2.1 t -42.17 -38.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -45.5 77.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -61.33 -43.12 99.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 110.288 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' OH ' ' CZ ' ' A' ' 55' ' ' TYR . 17.7 t80 -59.64 -59.53 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 1.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 8.7 t -48.46 -49.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.58 -51.12 58.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.391 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -37.11 76.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 4.4 tp -60.73 -51.39 69.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.68 -31.14 70.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.49 -10.75 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 66.44 49.68 54.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.546 1.154 . . . . 1.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 4.2 m-20 -92.73 93.67 8.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -69.14 -66.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.51 -34.76 76.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 1.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.51 3.6 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.467 1.104 . . . . 1.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.597 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 38.3 mt -52.33 -35.63 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 69.2 t -70.73 -30.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.6 -17.68 47.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.78 -68.2 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.369 1.043 . . . . 1.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 40.5 p90 -85.01 -175.52 5.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.87 173.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 1.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.46 ' O ' ' CG2' ' A' ' 48' ' ' THR . 0.6 OUTLIER -104.63 -14.47 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -119.52 14.35 12.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 1.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' CB ' ' HE3' ' A' ' 112' ' ' MET . . . -57.44 179.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -129.7 122.41 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 1.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.475 HG22 ' CG2' ' A' ' 51' ' ' ILE . 21.8 t -103.92 137.87 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -133.73 111.67 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.587 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.08 143.45 9.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 1.0 109.28 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.587 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.94 -70.62 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.036 -2.485 . . . . 1.0 111.012 -0.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.484 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -157.35 154.14 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.603 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 139.62 -50.41 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 3.2 p 149.69 -177.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 1.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.36 79.21 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.77 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -142.12 101.66 3.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 1.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -97.69 140.98 31.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.991 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.95 148.59 23.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 2.3 p -63.18 -17.4 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 1.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.88 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.31 97.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CG2' HG22 ' A' ' 36' ' ' VAL . 96.8 mt -58.45 -59.38 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 1.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.7 OUTLIER -49.46 -47.16 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 1.2 tp10 -64.76 -27.45 68.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 1.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.78 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.948 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.469 ' CZ ' ' OH ' ' A' ' 14' ' ' TYR . 25.7 m-85 -60.3 -29.01 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -68.02 -70.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 1.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.501 ' ND2' ' N ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -46.45 -42.41 15.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.501 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 17.6 t -61.96 -49.73 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 1.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.513 ' CD1' ' CD2' ' A' ' 23' ' ' LEU . 1.3 mt -58.63 -23.77 59.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 10.8 ttmt -43.38 -26.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.393 1.058 . . . . 1.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.492 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 9.4 tp -92.86 140.46 23.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.96 54.32 3.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.611 1.848 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.526 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -98.22 131.99 44.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 1.0 109.376 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' N ' HD21 ' A' ' 63' ' ' LEU . . . -107.21 103.43 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 63' ' ' LEU . 2.1 t -95.1 144.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 3.4 tt0 -158.3 137.99 12.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 1.0 110.384 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 11' ' ' VAL . 6.2 tt -61.14 157.99 14.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 81' ' ' ALA . 1.2 p -136.98 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.566 ' NE2' ' N ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -179.98 -160.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 1.0 110.337 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.59 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 20.8 mm-40 55.51 60.96 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 1.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 80' ' ' PHE . 53.8 t -111.9 84.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -87.27 104.37 16.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -102.18 128.79 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.541 ' CG1' ' N ' ' A' ' 75' ' ' ALA . 5.9 p -157.07 -139.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.625 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -31.48 95.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 1.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.625 ' C ' ' O ' ' A' ' 75' ' ' ALA . 8.8 m-80 20.93 58.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 75' ' ' ALA . 27.3 tt0 -162.1 158.61 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -157.28 108.61 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -99.46 106.09 18.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 54.5 p90 -107.59 125.82 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -86.66 106.81 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 1.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.0 p90 -107.97 -172.61 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -123.56 162.07 23.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 1.0 110.405 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -139.96 114.69 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 1.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.11 116.04 28.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 1.0 110.064 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -154.56 146.98 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -116.75 133.5 55.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 1.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -110.12 170.56 8.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 111.036 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.58 72.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 172.69 -32.59 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 1.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.487 ' CD ' ' O ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER 165.72 -179.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 0.797 . . . . 1.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.41 ' C ' ' OG1' ' A' ' 93' ' ' THR . 7.3 mttm -87.94 154.85 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.55 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 4.9 m -155.83 146.18 21.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.407 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -129.78 118.83 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 1.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.548 ' CG2' HG12 ' A' ' 121' ' ' ILE . 47.5 t -100.39 166.23 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 1.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -136.41 69.81 61.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 1.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.02 162.56 36.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 1.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.491 ' CG2' ' NH2' ' B' ' 72' ' ' ARG . 10.3 mt -114.47 119.81 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.39 125.11 41.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -106.15 106.04 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CD2' HG23 ' A' ' 11' ' ' VAL . 12.3 m-30 -94.62 136.63 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 1.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 10.4 mtp180 -111.03 144.59 39.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -125.08 170.08 11.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 108' ' ' LYS . 2.9 p30 -165.91 175.36 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.89 -58.64 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 1.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 2' ' ' ASN . . . -172.89 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 1.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.46 31.25 0.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.429 1.081 . . . . 1.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.438 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 1.4 pttt -105.55 129.04 53.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 1.0 109.37 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 102' ' ' ARG . 5.5 t -94.03 117.65 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.91 -5.71 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' A' ' 102' ' ' ARG . 2.2 m -141.41 141.61 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.464 ' HE3' ' CB ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -158.6 132.89 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 1.0 111.064 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.02 160.04 39.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 1.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.22 153.76 46.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -136.07 113.82 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 97' ' ' PRO . 6.8 m-85 -106.64 -175.67 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 1.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -176.08 176.24 47.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 1.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.94 -35.82 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 1.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -67.7 -10.01 48.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 1.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -107.58 29.97 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.55 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 3.3 mt -118.46 148.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -141.08 98.87 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.25 175.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.66 176.64 35.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 1.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 1.0 109.301 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.445 ' C ' ' ND2' ' B' ' 2' ' ' ASN . 49.8 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.49 0.186 . . . . 1.0 111.013 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' B' ' 1' ' ' MET . 5.1 p30 41.0 76.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 1.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -126.9 155.48 75.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -30.71 6.95 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 1.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -68.7 -46.49 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -68.05 -46.51 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.662 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.2 mtm -61.97 -61.84 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -52.49 -39.53 61.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 1.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -60.07 -44.37 94.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.52 -34.87 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.539 ' CG1' ' CD1' ' B' ' 80' ' ' PHE . 5.9 t -64.91 -44.99 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -67.05 -39.91 87.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 1.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -35.86 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 1.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.406 ' CE1' ' HZ ' ' B' ' 101' ' ' PHE . 27.5 t80 -67.37 -44.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 1.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.435 HG12 ' N ' ' B' ' 67' ' ' LEU . 24.0 t -62.84 -54.49 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.49 84.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.402 ' CB ' HG12 ' B' ' 26' ' ' ILE . . . -62.59 -41.49 99.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 1.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.464 HD21 ' CG1' ' B' ' 65' ' ' VAL . 6.8 tp -60.84 -57.54 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.74 -22.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 1.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.05 -20.69 55.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 79.24 20.45 69.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.481 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 4.8 m-20 -73.12 97.33 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.442 HD12 ' CG ' ' B' ' 52' ' ' ARG . 0.1 OUTLIER -70.94 -72.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.79 -34.38 75.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.47 -57.82 17.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.44 1.088 . . . . 1.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' B' ' 22' ' ' ASP . 66.0 mt -56.41 -44.9 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 1.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.576 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.3 t -61.79 -27.21 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.77 -21.75 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.54 -58.09 9.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 1.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 35.1 p90 -96.48 -177.81 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.1 167.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.441 ' O ' ' CG2' ' B' ' 48' ' ' THR . 0.5 OUTLIER -98.35 -13.97 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.86 11.31 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -58.93 179.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 49.7 p -135.82 140.18 44.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 1.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' B' ' 51' ' ' ILE . 11.5 t -114.77 138.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -140.62 94.98 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 110.318 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.667 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -148.15 143.52 17.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 1.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.667 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -74.92 -77.33 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.004 -2.498 . . . . 1.0 111.03 -0.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -157.29 154.33 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.581 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 136.09 -47.02 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 153.15 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 1.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.407 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 1.6 mt-10 67.15 63.77 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.0 Cg_endo -74.98 -169.23 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 1.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.445 ' HD3' ' CB ' ' B' ' 50' ' ' ALA . 6.3 mtt-85 -142.1 142.18 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.0 p -138.89 140.33 38.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 109.987 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.45 150.01 23.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 1.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' B' ' 52' ' ' ARG . 1.7 p -63.15 -12.32 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.743 . . . . 1.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.32 -64.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.445 ' CB ' ' HD3' ' B' ' 45' ' ' ARG . . . -70.3 -37.19 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.416 ' CD1' HG21 ' B' ' 36' ' ' VAL . 4.9 mt -60.33 -62.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' B' ' 48' ' ' THR . 1.3 ttp180 -56.34 -35.98 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 7.8 mm-40 -63.82 -43.02 97.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 1.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.2 OUTLIER -65.83 -58.19 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 1.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.504 ' O ' ' CD1' ' B' ' 59' ' ' LEU . 12.3 m-85 -60.65 -23.91 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -76.44 -71.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' B' ' 58' ' ' SER . 29.4 p30 -53.15 -21.03 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 58.4 m -83.79 -48.89 9.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 1.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 3.2 mt -58.55 -24.16 60.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 1.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -43.13 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.48 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.1 tp -91.74 140.27 25.03 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.6 Cg_endo -74.89 55.52 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 1.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' B' ' 86' ' ' PHE . 15.7 mt -54.48 167.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' B' ' 85' ' ' SER . . . -135.51 61.95 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 1.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' B' ' 18' ' ' LEU . 86.0 t -77.47 137.77 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -156.79 137.73 13.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.435 ' N ' HG12 ' B' ' 15' ' ' VAL . 14.8 tp -67.22 143.42 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 11.0 p -125.89 -54.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 1.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.452 ' NE2' ' N ' ' B' ' 69' ' ' GLN . 0.0 OUTLIER -178.83 -163.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 10.1 mm-40 57.76 116.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' B' ' 70' ' ' GLU . 42.2 t -157.1 68.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.491 ' NH2' ' CG2' ' A' ' 98' ' ' ILE . 4.8 ptt180 -72.35 102.19 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -101.3 124.92 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.428 ' CG1' HG22 ' A' ' 40' ' ' VAL . 1.6 p -175.77 159.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.37 49.49 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 109.347 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 49.49 38.6 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.408 ' HB3' ' NE2' ' B' ' 100' ' ' HIS . 17.8 mt-10 -141.48 169.76 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 1.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -156.03 110.74 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.458 ' O ' ' CG ' ' B' ' 72' ' ' ARG . . . -109.27 103.92 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 34.0 p90 -109.65 157.14 19.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.426 ' O ' ' NE2' ' B' ' 69' ' ' GLN . . . -111.53 115.74 29.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' OD2' ' B' ' 99' ' ' ASP . 32.1 p90 -124.54 171.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 1.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -103.86 158.96 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.415 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.6 ' CG1' ' CD ' ' B' ' 97' ' ' PRO . 0.3 OUTLIER -148.68 101.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' B' ' 64' ' ' ALA . 0.9 OUTLIER -86.04 151.21 23.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 1.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 4.5 p90 -164.11 142.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 1.0 110.997 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' B' ' 88' ' ' TYR . 1.9 tm-20 -106.0 137.38 44.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.374 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' B' ' 87' ' ' GLU . 1.4 m-85 -132.15 106.71 8.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 52.58 50.41 18.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.54 -33.34 4.4 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.46 1.1 . . . . 1.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -58.65 154.84 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 1.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.52 114.52 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.571 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 97.1 m -126.98 154.03 45.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.3 OUTLIER -128.27 121.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' B' ' 83' ' ' THR . 4.2 t -100.32 164.38 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.439 ' N ' ' HD3' ' B' ' 97' ' ' PRO . . . -142.79 63.5 13.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.6 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 167.23 27.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 1.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.499 ' CD1' ' OE1' ' A' ' 70' ' ' GLU . 27.6 mt -115.87 115.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.65 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -88.67 139.63 30.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' B' ' 77' ' ' GLU . 32.7 t-80 -130.21 125.29 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 1.0 109.635 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.439 ' CE1' ' SD ' ' B' ' 112' ' ' MET . 17.6 m-30 -118.96 148.0 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 1.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.404 ' CB ' ' HG2' ' B' ' 77' ' ' GLU . 2.6 ttp180 -130.1 123.06 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' B' ' 108' ' ' LYS . 1.0 OUTLIER -82.91 126.41 32.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 111.063 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -163.11 -159.28 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 1.0 109.307 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.438 ' C ' ' N ' ' B' ' 107' ' ' GLY . . . 58.67 19.96 44.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.445 1.09 . . . . 1.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.09 29.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 1.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.495 ' O ' ' CG ' ' B' ' 108' ' ' LYS . . . -137.0 -42.49 0.1 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.475 1.109 . . . . 1.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.566 ' HD3' ' CZ ' ' B' ' 103' ' ' PHE . 0.9 OUTLIER 166.24 -167.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 1.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' B' ' 103' ' ' PHE . 91.9 t -52.2 116.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 72.4 t -113.74 -13.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.37 119.32 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.439 ' SD ' ' CE1' ' B' ' 101' ' ' PHE . 2.4 ttp -129.44 127.2 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 1.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -145.69 138.25 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 1.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' B' ' 38' ' ' ASP . . . -105.35 160.51 15.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.72 97.81 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 6.1 m-85 -98.67 -173.15 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.473 ' CA ' ' OD1' ' B' ' 120' ' ' ASN . . . -167.01 -172.56 34.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 1.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -113.9 4.16 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 1.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 3.63 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.473 ' OD1' ' CA ' ' B' ' 117' ' ' GLY . 7.3 p-10 -110.6 27.96 9.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.512 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.3 mp -126.48 140.66 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -129.64 103.44 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.655 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.98 147.3 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.93 177.5 46.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 109.294 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.512 0.196 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -178.32 54.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.414 ' O ' ' SD ' ' A' ' 7' ' ' MET . 14.2 p -125.48 155.5 71.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.17 9.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 1.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.65 -48.4 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.287 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.98 -41.64 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.615 ' CG ' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -58.18 -55.39 35.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 110.963 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -58.81 -48.75 80.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 1.0 110.378 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.34 75.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.04 -38.54 81.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.579 HG22 ' CE1' ' A' ' 80' ' ' PHE . 4.3 t -63.05 -42.79 97.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.75 -53.76 54.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -59.42 -47.75 84.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 3.1 t80 -55.03 -47.44 74.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.588 HG23 ' CE2' ' A' ' 82' ' ' PHE . 60.9 t -62.95 -66.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 1.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' VAL . . . -39.87 -34.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -51.69 18.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 1.6 tp -51.18 -51.84 49.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -43.18 95.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 1.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -11.7 58.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.07 49.95 43.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.549 1.156 . . . . 1.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -112.48 78.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 1.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 7.9 mt -55.57 -57.81 10.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.59 -39.01 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 1.0 109.356 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -67.79 -67.47 1.96 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 1.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.598 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 3.6 mt -43.0 -34.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 38.2 t -72.04 -46.25 59.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 1.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -65.74 -13.14 58.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -70.43 -66.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 1.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 43.4 p90 -87.51 177.48 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 1.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 108' ' ' LYS . . . -46.46 170.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' CG2' ' A' ' 48' ' ' THR . 0.9 OUTLIER -100.92 -14.72 17.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -119.22 17.47 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -61.62 174.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.239 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 p -128.92 133.32 47.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' ' 51' ' ' ILE . 43.3 t -103.96 148.32 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -153.49 90.02 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.577 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 2.7 p-10 -150.73 148.01 22.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.577 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.6 Cg_endo -74.97 -70.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.98 -2.508 . . . . 1.0 110.998 -0.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.504 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.38 160.26 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 124.02 -41.21 1.78 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.8 m 150.52 -175.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 1.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.89 66.86 0.31 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 1.0 110.339 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.02 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.429 1.752 . . . . 1.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 44' ' ' PRO . 4.5 mmp_? -152.44 148.51 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 1.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 p -146.93 137.34 23.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 1.0 109.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 121.06 4.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.593 1.183 . . . . 1.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -46.98 -24.34 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 1.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.04 81.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.49 ' CG2' ' CE2' ' A' ' 55' ' ' TYR . 83.8 mt -52.73 -54.51 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 1.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -44.98 84.05 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 1.0 110.324 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.22 -47.4 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -63.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 1.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 51' ' ' ILE . 3.9 m-85 -43.88 -30.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.47 -53.44 10.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -54.83 -23.75 19.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -50.83 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -15.77 59.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -57.56 -20.37 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 11.5 tp -94.51 137.18 22.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.02 62.62 5.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 1.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -109.14 166.09 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.49 116.31 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.94 137.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 1.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 83' ' ' THR . 19.8 tt0 -163.26 149.53 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.754 ' CD1' ' CZ ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -77.96 170.85 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 1.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.2 OUTLIER -169.66 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.0 110.372 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -77.81 -90.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -176.66 -178.38 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 1.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.536 HG12 ' CD1' ' A' ' 80' ' ' PHE . 21.7 t -129.92 125.98 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 72' ' ' ARG . 4.7 mmp_? -107.52 94.6 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 1.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.499 ' O ' ' CG2' ' A' ' 74' ' ' VAL . . . -89.64 118.5 29.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 73' ' ' ALA . 1.4 t -173.85 158.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . 58.52 47.18 13.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 75' ' ' ALA . 10.2 p30 45.64 28.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.077 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 14.2 pt-20 -144.13 133.65 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 1.0 110.319 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -102.79 113.29 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB3' ' CG ' ' A' ' 100' ' ' HIS . . . -111.67 103.16 11.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.635 ' CE2' ' CB ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -117.13 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.35 109.96 15.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.754 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 15.1 m-85 -106.36 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -123.68 141.48 51.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 1.2 m -119.85 114.93 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.4 t -95.1 125.4 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 1.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -166.21 152.19 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -118.1 132.4 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 1.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -107.88 168.99 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 1.0 110.971 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -63.76 72.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 1.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 172.32 -32.01 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 1.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 167.34 179.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.785 . . . . 1.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 92' ' ' LYS . 1.7 mtpm? -91.29 153.0 20.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 92.6 m -157.67 153.25 26.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 1.4 p -135.03 111.1 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.529 1.143 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.31 167.6 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -143.24 70.06 18.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . 18.5 Cg_endo -74.98 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.766 . . . . 1.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.417 HD13 ' NH2' ' B' ' 72' ' ' ARG . 3.2 mt -115.34 122.15 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.635 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 1.0 OUTLIER -95.45 120.13 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.539 ' CE1' HD23 ' B' ' 115' ' ' LEU . 1.6 t-160 -113.88 99.64 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 1.0 109.534 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.419 ' CD2' ' HZ ' ' A' ' 80' ' ' PHE . 10.6 m-30 -86.99 141.02 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -114.63 102.42 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 1.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 7' ' ' MET . 47.3 m-85 -79.86 117.81 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.94 -155.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 107' ' ' GLY . . . 57.54 21.44 42.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.441 1.088 . . . . 1.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' GLY . . . 40.15 29.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 1.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -136.08 -44.52 0.1 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.443 1.089 . . . . 1.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER 164.85 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.791 . . . . 1.0 109.252 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 103' ' ' PHE . 12.7 t -52.63 116.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.23 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.439 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 54.5 t -113.33 0.69 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -160.99 108.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.444 ' HE2' ' CD1' ' A' ' 30' ' ' PHE . 3.3 ptp -118.97 129.78 55.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 1.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.22 171.82 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -134.8 158.74 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 1.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.52 112.87 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 39' ' ' PRO . 6.1 m-85 -105.53 -175.27 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 1.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.415 ' H ' ' ND2' ' A' ' 120' ' ' ASN . . . -157.46 -173.62 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 1.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -25.8 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 1.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.437 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 0.1 OUTLIER -100.9 7.41 43.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.415 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 29.6 p-10 -97.99 23.78 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 2.7 mt -129.76 137.11 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -124.49 103.13 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 1.0 109.684 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.85 172.98 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.245 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 160.0 -177.59 36.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 1.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.74 . . . . 1.0 109.361 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.448 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.502 0.191 . . . . 1.0 110.978 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 1' ' ' MET . 0.5 OUTLIER 40.36 57.34 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.469 ' O ' ' SD ' ' B' ' 7' ' ' MET . 0.7 OUTLIER -46.15 155.14 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.0 110.44 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -41.3 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 1.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 2.4 mt-10 -63.64 -28.5 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -77.24 -66.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.572 ' HA ' ' CZ ' ' B' ' 103' ' ' PHE . 1.2 ptt? -52.34 -40.08 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 1.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.515 ' OG1' ' CB ' ' B' ' 73' ' ' ALA . 90.2 m -70.1 -43.75 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 1.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -58.9 -35.16 72.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.04 -49.56 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' B' ' 80' ' ' PHE . 2.6 t -52.85 -38.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.45 -54.9 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -28.45 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.471 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 0.8 OUTLIER -69.86 -50.03 46.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 111.05 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' B' ' 14' ' ' TYR . 3.2 t -57.65 -46.74 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 1.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.41 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.83 59.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 1.0 109.27 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.54 -52.81 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 65' ' ' VAL . 5.7 t-20 -59.58 -28.8 67.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.95 -26.68 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 1.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 87.73 20.22 51.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 1.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 8.5 t0 -72.96 74.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 1.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.482 ' O ' ' CG2' ' B' ' 27' ' ' VAL . 0.2 OUTLIER -55.77 -35.39 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -72.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.88 -27.68 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 1.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.595 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 50.7 mt -77.13 -51.81 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 1.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.563 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 88.8 t -62.82 -13.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 1.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.37 -28.57 12.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -49.69 -40.81 41.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 3.6 p90 -114.43 -178.85 3.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.76 169.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.0 109.271 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.434 ' HA ' ' CG2' ' B' ' 48' ' ' THR . 0.2 OUTLIER -98.86 -15.84 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -117.87 12.74 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.447 ' HB2' ' CE ' ' B' ' 112' ' ' MET . . . -52.11 152.52 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -108.71 109.66 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 1.0 110.453 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' B' ' 54' ' ' PHE . 92.3 t -90.07 149.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.9 OUTLIER -137.19 75.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -147.32 128.64 7.23 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 1.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.433 ' HB2' ' H ' ' B' ' 40' ' ' VAL . 18.0 Cg_endo -75.1 -143.55 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.944 0.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -115.24 158.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 1.0 109.386 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 125.18 -38.74 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 1.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.73 171.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.436 0.727 . . . . 1.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.27 80.64 0.21 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.266 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -168.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.583 1.833 . . . . 1.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -153.08 85.41 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 84.7 p -105.45 145.3 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 94.04 131.32 6.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.576 1.172 . . . . 1.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' B' ' 32' ' ' ASP . 12.1 p -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 1.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -65.2 -65.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.34 -55.07 35.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.532 HG21 ' CE2' ' B' ' 55' ' ' TYR . 54.7 mt -44.72 -43.25 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -65.92 -45.89 80.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 1.0 110.212 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.31 -33.56 71.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.0 110.343 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' B' ' 38' ' ' ASP . 1.6 t80 -72.76 -71.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 1.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' B' ' 51' ' ' ILE . 18.5 m-85 -48.9 -43.43 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -62.28 -63.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 22.5 t-20 -49.48 -24.39 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -75.23 -58.14 3.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.105 . . . . 1.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.2 OUTLIER -57.04 -19.64 19.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 1.0 109.362 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -47.0 -25.3 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 1.0 109.302 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 11.1 tp -88.22 139.56 30.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 65.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 1.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -117.4 -177.25 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 1.0 109.251 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.96 100.86 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' B' ' 82' ' ' PHE . 24.2 t -84.27 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 1.0 109.369 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -166.35 146.23 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.435 ' O ' ' CB ' ' B' ' 68' ' ' THR . 3.1 mt -76.3 176.27 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.49 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.0 OUTLIER 170.65 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 1.0 110.431 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.507 ' CD ' ' N ' ' B' ' 70' ' ' GLU . 1.2 tm0? -74.58 -78.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' B' ' 69' ' ' GLN . 0.0 OUTLIER 171.05 177.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.239 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 61.4 t -126.81 146.51 32.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' B' ' 79' ' ' ALA . 6.3 tpp180 -116.22 72.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.515 ' CB ' ' OG1' ' B' ' 8' ' ' THR . . . -78.56 120.5 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -177.76 156.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.471 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . 57.1 52.63 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.446 ' CB ' ' OD1' ' B' ' 104' ' ' ASN . 0.2 OUTLIER 45.17 26.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.312 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' B' ' 7' ' ' MET . 11.3 mt-10 -131.98 166.99 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -137.16 97.5 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' B' ' 72' ' ' ARG . . . -105.57 94.94 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.606 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 36.4 p90 -114.46 170.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' B' ' 69' ' ' GLN . . . -134.9 132.8 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' B' ' 65' ' ' VAL . 42.8 p90 -133.26 174.71 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.49 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.6 OUTLIER -106.2 163.85 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 1.0 110.427 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.463 HG11 ' CD ' ' B' ' 97' ' ' PRO . 0.6 OUTLIER -142.13 125.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.342 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.82 116.35 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 1.0 110.047 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' B' ' 95' ' ' VAL . 1.2 p90 -154.27 143.34 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -112.26 134.41 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -110.92 172.37 6.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 111.04 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -63.91 74.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 170.8 -31.55 0.14 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 1.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' B' ' 90' ' ' GLY . 1.2 ptt180 162.08 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 1.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.403 ' C ' ' OG1' ' B' ' 93' ' ' THR . 4.7 mttt -80.06 153.36 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.472 HG23 ' CG2' ' B' ' 121' ' ' ILE . 4.0 m -155.28 146.72 22.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -124.4 120.62 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' B' ' 86' ' ' PHE . 61.3 t -99.67 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -137.65 72.65 49.31 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.463 ' CD ' HG11 ' B' ' 84' ' ' VAL . 18.5 Cg_endo -74.99 159.53 41.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 1.2 mt -115.33 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.606 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 2.1 m-20 -101.9 124.28 47.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -117.07 103.46 10.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.627 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -102.09 160.22 14.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -137.19 130.11 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.611 ' O ' ' CB ' ' B' ' 104' ' ' ASN . 10.0 m-85 -100.8 -174.91 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' B' ' 103' ' ' PHE . 7.5 m120 90.83 -135.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.636 ' O ' ' CB ' ' B' ' 106' ' ' ALA . . . 60.33 12.67 25.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.451 1.094 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' B' ' 105' ' ' GLY . . . 151.49 -20.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 1.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 121.3 34.09 0.91 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 1.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.99 -172.7 2.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 0.734 . . . . 1.0 109.376 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.478 HG21 ' CD2' ' B' ' 103' ' ' PHE . 2.4 t -91.0 118.35 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 73.0 t -134.54 10.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -146.8 131.54 17.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.475 ' O ' ' N ' ' B' ' 37' ' ' GLU . 3.3 mtm -150.26 142.93 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 1.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -148.76 165.95 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 110.355 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.475 ' CB ' ' OD1' ' B' ' 38' ' ' ASP . . . -135.53 168.19 19.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 1.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 100' ' ' HIS . 0.5 OUTLIER -152.39 105.11 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.485 ' O ' ' CG ' ' B' ' 116' ' ' PHE . 7.3 p90 -115.39 127.58 55.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.438 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -109.08 -172.32 20.97 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.437 1.085 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.45 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 1.4 mp0 -110.65 2.69 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 1.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . 0.446 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -108.98 18.21 20.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 72' ' ' ARG . 2.8 p30 -131.59 43.84 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' B' ' 93' ' ' THR . 3.2 mt -133.29 147.24 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -137.7 115.22 11.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 1.0 109.602 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.6 167.59 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.91 173.29 38.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 1.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 1.0 109.248 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 1' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.475 0.178 . . . . 1.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 40.88 66.71 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.482 ' O ' ' SD ' ' A' ' 7' ' ' MET . 47.9 p -113.28 155.38 44.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.09 -37.45 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 1.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 3.9 tm-20 -67.3 -28.49 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.445 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 2.5 t-160 -77.0 -65.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 3' ' ' THR . 0.9 OUTLIER -51.59 -43.84 62.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 91.2 m -66.55 -45.86 78.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -57.47 -33.81 68.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 1.0 109.313 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.43 -49.11 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.565 HG23 ' CD2' ' A' ' 101' ' ' PHE . 2.4 t -51.52 -42.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -63.94 -49.06 74.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.23 -35.39 73.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.9 t80 -65.31 -49.43 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 1.0 110.992 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.85 -47.3 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.39 46.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.17 -42.49 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.83 -53.71 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 9.1 t-20 -61.04 -22.51 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.21 31.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 1.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.04 9.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 1.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 14.7 t0 -96.44 71.14 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 1.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD2' ' CB ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -55.45 -40.02 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 1.0 109.322 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -72.47 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.88 -27.83 0.4 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.604 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 32.0 mt -78.36 -48.25 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.567 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 68.7 t -68.07 -10.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.2 -26.46 12.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.9 mt -48.82 -37.85 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 1.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.4 p90 -115.81 -175.88 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' CB ' HG23 ' A' ' 110' ' ' VAL . . . -44.88 168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' O ' ' CG2' ' A' ' 48' ' ' THR . 0.2 OUTLIER -91.19 -17.69 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 1.0 109.398 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -125.51 26.85 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 1.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -60.01 166.42 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.9 p -119.64 125.88 49.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 110.424 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG23 ' CE ' ' A' ' 112' ' ' MET . 3.5 t -104.4 139.53 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.488 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -133.02 55.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 1.9 p-10 -125.11 144.03 46.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.0 Cg_endo -75.02 -67.37 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -156.94 178.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.45 16.35 9.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 p 62.84 -177.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 1.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 68.12 62.81 0.68 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.488 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.02 152.68 40.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 1.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -101.32 166.61 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.0 p -151.7 142.94 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 1.0 109.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.27 127.83 5.68 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.516 1.135 . . . . 1.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 3.3 p -46.53 -25.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . . . -63.04 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.46 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.541 HG21 ' CD2' ' A' ' 55' ' ' TYR . 14.4 mt -54.8 -38.31 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 49' ' ' ALA . 10.9 mtm105 -71.21 -66.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.2 -39.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 1.0 110.253 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE2' ' OD1' ' A' ' 38' ' ' ASP . 1.1 t80 -65.86 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 1.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.541 ' CD2' HG21 ' A' ' 51' ' ' ILE . 7.6 m-85 -56.04 -16.95 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . . . -77.39 -66.43 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 1.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -60.18 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -75.46 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -57.46 -20.06 28.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 1.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -27.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 1.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 11.1 tp -76.78 139.27 66.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 64.39 6.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 1.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.13 -177.25 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.82 104.03 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 89.2 t -84.13 137.64 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 1.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -155.95 149.63 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 mt -83.63 170.62 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 177.8 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 1.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 1.3 tm0? -69.46 -76.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.5 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER 163.42 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.526 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 71.7 t -133.85 146.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.538 ' CZ ' ' O ' ' B' ' 96' ' ' ALA . 0.0 OUTLIER -121.14 87.88 2.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' CB ' ' HE1' ' A' ' 7' ' ' MET . . . -86.54 129.47 34.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.549 ' CG1' ' N ' ' A' ' 75' ' ' ALA . 1.6 p -141.4 -150.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.549 ' N ' ' CG1' ' A' ' 74' ' ' VAL . . . -40.68 94.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 1.0 109.233 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' VAL . 1.0 OUTLIER 37.22 31.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 75' ' ' ALA . 1.9 tt0 -123.8 160.13 28.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -148.08 87.43 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.46 101.4 12.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.618 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 49.8 p90 -119.98 179.87 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.454 ' HB3' ' CG1' ' A' ' 98' ' ' ILE . . . -142.9 137.84 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 11.5 p90 -137.03 -179.86 5.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 1.0 111.055 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -115.52 160.24 20.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 1.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.444 HG11 ' CD ' ' A' ' 97' ' ' PRO . 0.6 OUTLIER -134.71 120.95 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.2 m -95.84 117.25 30.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.522 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 1.4 p90 -154.82 151.21 28.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -130.68 142.07 50.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.96 135.91 45.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.74 48.55 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 110.288 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.08 31.04 75.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 1.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.91 113.54 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 1.0 110.264 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.43 140.43 41.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.522 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 4.4 m -154.24 146.07 23.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 1.0 110.376 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -132.71 119.85 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG2' HG12 ' A' ' 121' ' ' ILE . 48.5 t -102.03 166.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 1.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -138.07 71.65 47.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.444 ' CD ' HG11 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.429 1.752 . . . . 1.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.559 ' CG2' ' NE2' ' A' ' 100' ' ' HIS . 10.9 mt -111.49 157.82 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.618 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.7 m-20 -136.07 144.93 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.559 ' NE2' ' CG2' ' A' ' 98' ' ' ILE . 15.8 m170 -132.02 91.61 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 1.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CD2' HG23 ' A' ' 11' ' ' VAL . 4.6 m-30 -83.94 133.66 34.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 111' ' ' SER . 4.4 ttp180 -116.7 112.93 21.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 1.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.688 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -84.13 114.43 21.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 1.0 111.043 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 106' ' ' ALA . 8.5 t30 -114.73 -155.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.25 28.88 0.19 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.514 1.134 . . . . 1.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 104' ' ' ASN . . . 47.18 71.14 0.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 0.758 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.76 47.15 2.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 1.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.93 105.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 1.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.688 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t -64.42 121.37 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 109.355 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 84.1 t -132.2 -62.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -80.14 114.8 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.965 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.483 ' CE ' HG23 ' A' ' 36' ' ' VAL . 1.7 ptm -139.99 133.53 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.465 ' HD3' ' CD1' ' A' ' 115' ' ' LEU . 4.4 tmm_? -136.12 146.84 47.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 110.236 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -110.68 172.65 6.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 1.0 109.38 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.553 HD12 ' CE1' ' B' ' 100' ' ' HIS . 0.1 OUTLIER -157.16 102.53 1.96 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 1.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -116.37 129.08 56.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -111.57 -173.83 19.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 1.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 1.2 mm-40 -110.5 23.56 14.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 1.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' B' ' 71' ' ' VAL . 0.0 OUTLIER -116.78 16.62 15.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.4 ' C ' HG13 ' A' ' 121' ' ' ILE . 0.8 OUTLIER -142.65 49.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 95' ' ' VAL . 7.0 mt -135.18 136.57 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.357 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 0.5 OUTLIER -129.1 138.66 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.541 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.82 161.58 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 161.61 176.17 33.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 1.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 1.0 109.314 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.427 0.156 . . . . 1.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.731 HD21 ' N ' ' B' ' 2' ' ' ASN . 0.8 OUTLIER -89.24 62.25 6.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.162 . . . . 1.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.2 p -112.04 161.56 25.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 1.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -29.37 8.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 1.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.42 -43.99 84.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.85 -46.19 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -52.37 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.04 -46.42 90.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 110.444 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.75 69.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.246 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.34 -45.47 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.532 HG23 ' CD1' ' B' ' 80' ' ' PHE . 6.6 t -61.24 -41.29 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -59.57 -51.26 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -59.98 -34.55 73.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -69.25 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 1.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.63 -56.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -53.51 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 1.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.55 -48.04 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.232 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.457 HD21 ' CG1' ' B' ' 65' ' ' VAL . 15.4 tp -53.01 -53.95 42.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -21.6 65.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.05 -12.57 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 1.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.88 27.64 72.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CD1' ' B' ' 26' ' ' ILE . 33.5 m-20 -76.07 97.62 4.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 1.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 1.8 mt -70.2 -59.04 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 1.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.74 -34.33 72.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 1.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.48 -66.84 2.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.59 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 12.9 mt -46.34 -37.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.565 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.4 t -68.22 -39.77 81.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -71.32 -17.0 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -64.29 -59.04 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 25.5 p90 -98.86 -177.76 3.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' B' ' 108' ' ' LYS . . . -48.02 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 1.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' B' ' 48' ' ' THR . 0.4 OUTLIER -104.03 -14.86 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -115.96 16.2 16.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -66.94 165.18 16.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.0 p -118.56 133.7 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 1.0 110.391 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' B' ' 51' ' ' ILE . 25.1 t -107.22 138.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 1.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 2.8 mt-10 -137.78 97.79 3.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.258 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.579 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 2.9 t0 -143.55 122.65 7.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.579 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.0 -87.03 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.992 -2.503 . . . . 1.0 111.006 -0.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.47 ' CG2' HG12 ' A' ' 74' ' ' VAL . 2.0 t -136.38 141.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.383 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.2 27.42 39.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 1.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 16.1 m -111.57 62.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 1.0 109.938 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 41.11 86.67 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.346 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.03 144.73 30.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 1.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' B' ' 50' ' ' ALA . 10.2 mpt_? -87.81 150.16 23.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.4 p -136.05 104.45 5.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.028 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.67 157.9 10.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 1.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 2.5 p -60.34 -26.75 66.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 1.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.44 -68.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.455 ' HB3' ' CG ' ' B' ' 45' ' ' ARG . . . -56.16 -52.01 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 1.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' B' ' 36' ' ' VAL . 5.2 mt -46.36 -46.07 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' B' ' 53' ' ' GLU . 55.0 ttp85 -61.76 -62.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 52' ' ' ARG . 0.0 OUTLIER -45.15 -36.06 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.487 ' CD2' ' N ' ' B' ' 55' ' ' TYR . 9.8 t80 -69.5 -68.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 1.0 110.952 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.487 ' N ' ' CD2' ' B' ' 54' ' ' PHE . 5.4 m-85 -43.98 -27.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.24 -51.33 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.37 -36.13 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -69.93 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -54.45 -19.78 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -40.96 -29.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 1.0 109.242 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' B' ' 87' ' ' GLU . 13.9 tp -99.7 137.49 20.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 1.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 54.65 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.516 1.798 . . . . 1.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.604 HD21 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.97 -177.66 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 106.45 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.457 ' CG1' HD21 ' B' ' 18' ' ' LEU . 37.3 t -87.03 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.404 ' N ' HG11 ' B' ' 65' ' ' VAL . 5.3 pt-20 -162.85 129.13 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 1.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' B' ' 81' ' ' ALA . 5.5 mt -59.89 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.423 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.35 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.551 ' NE2' ' CB ' ' B' ' 81' ' ' ALA . 1.5 mt-30 -85.18 -98.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -174.57 -179.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 84.3 t -119.6 139.29 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 1.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.423 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 6.6 mpt_? -117.53 86.49 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 1.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -84.13 128.36 34.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' B' ' 76' ' ' ASN . 0.9 OUTLIER -141.93 -150.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -45.42 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.2 OUTLIER 35.1 36.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.563 ' OE2' ' CE1' ' B' ' 100' ' ' HIS . 2.7 mt-10 -136.76 106.24 6.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -101.66 97.02 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.21 108.31 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' B' ' 99' ' ' ASP . 8.9 p90 -123.45 153.23 40.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 1.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.551 ' CB ' ' NE2' ' B' ' 69' ' ' GLN . . . -107.91 130.68 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 109.282 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.629 ' CE2' ' CG1' ' B' ' 84' ' ' VAL . 6.7 p90 -135.96 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 1.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.423 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.51 161.24 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 110.412 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.629 ' CG1' ' CE2' ' B' ' 82' ' ' PHE . 4.2 m -149.18 124.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' B' ' 93' ' ' THR . 73.5 m -104.04 116.55 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 1.0 110.036 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.604 ' CE1' HD21 ' B' ' 63' ' ' LEU . 13.4 m-30 -104.48 172.9 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 1.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' B' ' 88' ' ' TYR . 28.6 tt0 -147.14 159.83 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 110.233 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.498 ' N ' ' CG ' ' B' ' 87' ' ' GLU . 1.6 m-85 -156.44 78.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 39.75 65.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 1.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.15 -32.89 6.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 1.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.454 ' HB2' ' CB ' ' B' ' 88' ' ' TYR . 1.2 mtp180 -79.07 157.47 28.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.786 . . . . 1.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.15 141.73 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' B' ' 85' ' ' SER . 2.6 m -136.01 166.64 22.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 1.0 110.448 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 1.8 t -142.9 86.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.469 ' CG2' HG13 ' B' ' 121' ' ' ILE . 54.6 t -87.99 147.24 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.538 ' O ' ' CZ ' ' A' ' 72' ' ' ARG . . . -122.76 72.17 41.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.568 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.2 Cg_endo -74.95 168.46 24.78 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 1.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' B' ' 81' ' ' ALA . 71.6 mt -123.16 115.61 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -86.26 142.0 28.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.563 ' CE1' ' OE2' ' B' ' 77' ' ' GLU . 16.5 t-160 -136.16 101.72 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.639 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' B' ' 101' ' ' PHE . 9.2 m-30 -101.32 129.82 47.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -116.57 123.55 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 1.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.563 ' CD1' HG21 ' B' ' 109' ' ' VAL . 1.2 m-85 -74.15 124.93 27.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.18 -165.15 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 1.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.444 ' C ' ' N ' ' B' ' 107' ' ' GLY . . . 59.14 21.71 53.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 1.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.13 29.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 0.761 . . . . 1.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' B' ' 108' ' ' LYS . . . -135.14 -44.08 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 1.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.553 ' HA ' ' CD2' ' B' ' 103' ' ' PHE . 0.2 OUTLIER 166.31 -170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 1.0 109.279 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' B' ' 103' ' ' PHE . 15.8 t -44.76 119.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 1.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.458 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 48.9 t -123.5 0.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 27.6 m -159.51 124.16 3.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 1.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.482 ' HE2' ' CD1' ' B' ' 30' ' ' PHE . 2.3 ptp -129.81 121.73 27.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.45 121.92 46.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -98.76 94.16 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.77 116.36 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.492 ' CG ' ' HB3' ' B' ' 39' ' ' PRO . 2.5 m-85 -101.29 -168.73 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.445 ' N ' ' NH1' ' A' ' 72' ' ' ARG . . . -168.29 -173.85 36.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.462 1.101 . . . . 1.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -135.79 9.69 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 0.814 . . . . 1.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -116.89 -7.66 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.51 ' CB ' ' NH2' ' A' ' 72' ' ' ARG . 1.2 m-80 -118.45 36.65 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' B' ' 95' ' ' VAL . 2.3 mp -122.61 140.3 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -123.49 82.99 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0 109.648 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.8 145.24 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.09 42.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 1.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 1.0 109.379 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 2' ' ' ASN . 36.8 tpp . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.5 0.191 . . . . 1.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 1' ' ' MET . 13.8 t30 -135.54 178.81 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.555 ' OG1' ' CG ' ' A' ' 6' ' ' HIS . 1.4 p -111.17 157.43 38.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.02 -37.28 2.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 1.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 1.1 mt-10 -69.14 -27.3 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.555 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 21.7 m170 -77.77 -64.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.572 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 1.6 ptt? -53.08 -39.15 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' A' ' 73' ' ' ALA . 91.5 m -71.17 -45.1 64.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 1.0 110.345 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -56.57 -42.68 79.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.22 -43.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.572 HG12 ' CD1' ' A' ' 80' ' ' PHE . 2.7 t -54.44 -39.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -58.27 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.66 -28.19 45.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 3.2 t80 -72.15 -48.71 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.29 -46.17 81.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.35 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.94 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 13.5 tp -63.44 -58.64 6.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -58.54 -19.94 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.94 -32.81 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 97.07 47.64 2.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.152 . . . . 1.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 8.7 m-20 -103.84 88.74 3.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 0.779 . . . . 1.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -70.91 -61.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -43.12 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.27 -55.91 27.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 1.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.565 HG23 ' CE2' ' A' ' 55' ' ' TYR . 60.1 mt -57.18 -42.93 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 0.802 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 99.2 t -63.3 -26.35 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.76 -22.3 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.227 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -53.03 -45.47 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 5.8 p90 -111.91 -177.94 3.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 1.0 111.0 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.25 168.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -98.22 -13.82 20.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.65 22.48 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -68.43 160.64 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.3 p -110.01 139.0 45.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.546 HG13 ' CE2' ' A' ' 54' ' ' PHE . 2.1 t -122.59 142.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' NH1' ' A' ' 113' ' ' ARG . 10.0 tp10 -131.57 80.7 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 1.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.634 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -131.92 135.99 27.57 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 1.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.95 -77.83 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.048 -2.48 . . . . 1.0 110.972 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -159.42 159.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 136.28 -47.45 0.97 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.3 t 151.69 177.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 1.0 109.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' N ' ' OG ' ' A' ' 42' ' ' SER . 1.2 mt-10 68.49 63.4 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.05 143.55 29.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 1.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.16 178.57 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 1.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.3 p -173.16 155.44 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 89.77 131.37 4.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 1.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 69.4 p -41.25 -28.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 1.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.27 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 1.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.3 -51.44 68.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.543 HG21 ' CD1' ' A' ' 55' ' ' TYR . 8.6 mt -48.15 -48.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -58.16 -48.45 80.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 1.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -36.14 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 1.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE2' HG13 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -72.89 -69.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.0 110.964 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.565 ' CE2' HG23 ' A' ' 26' ' ' ILE . 21.2 m-85 -47.85 -44.04 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -62.48 -63.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 109.371 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -46.75 -30.02 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 1.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -20.06 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 -29.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 59' ' ' LEU . 12.4 tp -104.25 122.2 44.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 1.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.27 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.393 1.733 . . . . 1.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 85' ' ' SER . 0.1 OUTLIER -139.79 -176.11 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.6 88.52 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.385 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 46.7 t -91.43 137.83 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -165.09 150.03 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -75.69 142.08 42.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 1.0 109.216 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.529 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.6 t -179.96 68.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 110.412 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.1 tt0 -171.43 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 71' ' ' VAL . 8.9 tp10 174.24 153.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' ' 80' ' ' PHE . 83.9 t -124.57 104.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' NH2' ' CB ' ' B' ' 120' ' ' ASN . 0.4 OUTLIER -80.23 85.16 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.499 ' CB ' ' OG1' ' A' ' 8' ' ' THR . . . -92.37 100.36 12.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' B' ' 116' ' ' PHE . 2.5 t -158.31 148.44 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' CB ' HG13 ' B' ' 40' ' ' VAL . . . 56.07 48.58 17.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 1.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 48.57 30.48 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.268 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 1.4 mm-40 -132.94 117.66 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.91 96.57 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 1.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.549 ' CB ' ' CD2' ' A' ' 100' ' ' HIS . . . -101.22 91.99 4.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.642 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 35.4 p90 -110.76 148.59 32.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -114.02 119.93 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 12.1 p90 -120.89 -175.25 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.529 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -122.15 164.65 17.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 110.415 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.467 ' CG1' ' C ' ' A' ' 83' ' ' THR . 0.9 OUTLIER -152.76 123.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -93.96 125.4 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.993 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 93' ' ' THR . 4.5 p90 -146.35 132.11 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 91' ' ' ARG . 6.0 tt0 -97.61 138.47 34.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.431 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -128.48 105.77 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 111.049 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.29 49.5 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 1.0 110.316 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.93 -31.46 5.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 1.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 62.2 mtp85 -62.87 151.55 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 1.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -124.17 112.29 16.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.087 . . . . 1.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.589 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 74.7 m -126.0 147.45 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.431 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 2.7 p -126.45 111.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 86' ' ' PHE . 77.4 t -89.43 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -123.84 71.9 51.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.066 . . . . 1.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.436 ' HD3' ' C ' ' A' ' 95' ' ' VAL . 18.4 Cg_endo -74.99 160.89 39.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.582 1.833 . . . . 1.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.483 ' CD1' ' HD2' ' B' ' 72' ' ' ARG . 8.5 mt -120.86 114.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -90.66 135.73 33.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 1.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.549 ' CD2' ' CB ' ' A' ' 79' ' ' ALA . 4.3 t-160 -120.93 86.27 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.471 ' CD2' ' CG2' ' A' ' 11' ' ' VAL . 4.1 m-30 -69.54 150.34 47.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -128.14 106.85 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 25.0 m-85 -95.12 122.97 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -84.02 103.66 13.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ALA . . . -40.02 161.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 1.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 105' ' ' GLY . . . 40.21 32.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 1.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -156.31 -94.64 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 1.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER 161.4 -175.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 1.0 109.343 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.687 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 43.7 t -61.99 116.11 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 110' ' ' VAL . 46.5 t -134.28 9.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 1.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 1.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.09 141.3 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.407 ' NH1' ' HG2' ' A' ' 37' ' ' GLU . 40.3 ttt85 -137.16 129.19 29.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.53 163.02 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.61 105.1 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -121.66 126.18 48.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.386 1.054 . . . . 1.0 111.036 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -114.62 172.78 14.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 1.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.69 -20.23 47.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 1.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 15.06 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.451 ' ND2' ' OE2' ' B' ' 70' ' ' GLU . 4.2 m-20 -114.13 -11.01 12.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 117' ' ' GLY . 3.8 mp -93.22 135.74 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -127.34 91.87 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.636 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.38 154.87 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.17 177.37 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 1.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.461 0.742 . . . . 1.0 109.303 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.503 0.192 . . . . 1.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -178.58 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -152.98 154.79 31.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 110.456 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.37 4.67 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 1.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -65.52 -44.45 86.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.459 ' HB2' ' CG2' ' B' ' 3' ' ' THR . 4.1 t60 -70.17 -43.61 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.549 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -59.15 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -58.44 -38.59 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.47 -50.73 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.43 -46.98 89.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.616 ' CG1' ' CD1' ' B' ' 80' ' ' PHE . 2.9 t -56.38 -40.2 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.78 -46.83 83.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -59.71 -38.38 81.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.468 ' CD2' ' CZ ' ' B' ' 101' ' ' PHE . 17.2 t80 -63.51 -52.91 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 t -53.48 -54.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.18 . . . . 1.0 109.309 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -55.44 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.29 -35.61 38.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.435 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 9.7 tp -63.79 -53.8 45.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.72 -18.09 63.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 1.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.78 -15.74 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.401 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 78.65 12.68 83.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 1.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.503 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 0.7 OUTLIER -65.32 90.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 0.804 . . . . 1.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -72.12 -73.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.74 -39.91 78.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -56.71 23.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' B' ' 22' ' ' ASP . 57.7 mt -53.28 -42.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.748 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 87.3 t -62.73 -32.01 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.63 -19.87 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.62 -39.01 49.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 1.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' B' ' 27' ' ' VAL . 1.1 p90 -117.39 -175.15 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -45.38 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.444 ' O ' ' CG2' ' B' ' 48' ' ' THR . 0.3 OUTLIER -94.85 -11.02 29.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.361 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.47 15.81 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.406 ' HA ' HG11 ' B' ' 110' ' ' VAL . . . -55.05 159.09 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' B' ' 110' ' ' VAL . 45.8 p -109.6 122.44 47.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' B' ' 51' ' ' ILE . 14.3 t -112.64 138.14 42.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 1.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -116.98 73.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 110.245 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.591 ' OD1' ' CD2' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -105.69 134.45 19.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 1.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.471 ' HB2' ' CD1' ' B' ' 116' ' ' PHE . 18.7 Cg_endo -74.96 -44.65 0.54 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.084 -2.465 . . . . 1.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.451 HG23 ' CG1' ' A' ' 74' ' ' VAL . 2.0 t -124.21 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' B' ' 43' ' ' GLU . . . -52.07 -19.36 5.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 5.6 t -60.14 82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 0.782 . . . . 1.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER 86.17 86.59 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 110.264 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.7 14.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 1.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.14 154.58 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.329 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 82.5 p -150.44 133.05 15.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 1.0 110.067 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 115.79 123.36 3.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.162 . . . . 1.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -43.59 -25.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 110.385 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -67.62 -50.85 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.62 -38.29 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.374 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.529 HG22 ' CE1' ' B' ' 30' ' ' PHE . 30.7 mt -59.65 -59.41 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.47 ' CB ' HG22 ' B' ' 27' ' ' VAL . 22.6 ptt180 -62.85 -27.16 69.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' B' ' 57' ' ' ASN . 14.3 tp10 -61.03 -62.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 1.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.591 ' CD2' ' OD1' ' B' ' 38' ' ' ASP . 3.6 t80 -58.28 -49.72 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.193 . . . . 1.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' B' ' 59' ' ' LEU . 5.8 m-85 -60.75 -25.18 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 1.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.453 ' HB3' ' CD1' ' B' ' 23' ' ' LEU . . . -75.28 -72.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 1.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 53' ' ' GLU . 0.9 OUTLIER -52.23 -26.25 11.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 25.6 t -73.62 -53.57 10.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.062 . . . . 1.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 0.3 OUTLIER -58.74 -23.08 59.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -43.78 -26.73 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' B' ' 59' ' ' LEU . 12.0 tp -91.44 116.28 66.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 1.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' B' ' 85' ' ' SER . 0.2 OUTLIER -148.28 -176.17 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.41 102.44 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' B' ' 82' ' ' PHE . 6.4 t -92.99 142.07 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.413 ' N ' HG11 ' B' ' 65' ' ' VAL . 6.6 pt-20 -155.7 141.99 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.2 118.32 20.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -117.69 -25.29 6.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.4 OUTLIER -93.13 -171.15 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' ND2' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -87.89 -175.53 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 99.1 t -141.62 119.65 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.483 ' HD2' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -90.22 91.39 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.11 119.1 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 177.35 162.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 1.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.417 ' HB1' ' N ' ' A' ' 41' ' ' GLY . . . 53.03 54.91 9.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 44.07 32.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 1.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.418 ' HB3' ' NE2' ' B' ' 100' ' ' HIS . 2.9 mt-10 -135.18 162.76 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.52 103.68 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.466 ' HB1' ' CG ' ' B' ' 72' ' ' ARG . . . -107.81 106.3 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.672 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 29.0 p90 -111.59 142.55 43.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.476 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -108.25 132.23 53.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' B' ' 65' ' ' VAL . 40.4 p90 -140.97 172.54 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.56 160.88 15.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 1.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.6 OUTLIER -137.27 116.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.0 109.269 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -96.83 110.54 23.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.477 1.111 . . . . 1.0 109.967 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.562 ' CE1' ' HB ' ' B' ' 93' ' ' THR . 5.8 p90 -139.78 137.14 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.481 ' HB2' ' CB ' ' B' ' 92' ' ' LYS . 56.2 tt0 -135.14 148.6 49.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 1.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.656 ' N ' ' CD1' ' B' ' 88' ' ' TYR . 0.1 OUTLIER -133.9 172.95 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 1.0 111.011 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 67.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 1.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . -178.47 -35.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 1.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.425 ' CG ' ' C ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER 167.82 168.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 1.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.481 ' CB ' ' HB2' ' B' ' 87' ' ' GLU . 9.4 tttm -104.19 157.47 17.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.571 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 5.0 m -155.73 146.1 21.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.471 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -125.87 117.96 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 1.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.536 ' CG2' HG12 ' B' ' 121' ' ' ILE . 57.9 t -100.86 166.59 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.407 ' HB2' ' ND2' ' B' ' 120' ' ' ASN . . . -137.35 71.12 53.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.482 ' CD ' HG11 ' B' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 164.94 32.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 1.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -126.26 117.27 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.672 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.2 m-20 -93.54 146.07 24.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' B' ' 77' ' ' GLU . 39.6 t-80 -136.24 121.62 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.545 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.468 ' CZ ' ' CD2' ' B' ' 14' ' ' TYR . 16.8 m-30 -113.99 145.61 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 137.41 48.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.586 ' CE1' ' CG2' ' B' ' 109' ' ' VAL . 16.2 m-85 -107.85 155.86 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -117.49 137.05 52.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 1.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -45.83 110.72 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 1.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 51.96 22.02 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.767 . . . . 1.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.496 ' O ' ' CD ' ' B' ' 108' ' ' LYS . . . -114.51 -24.15 4.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 1.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' B' ' 107' ' ' GLY . 0.0 OUTLIER 82.31 -176.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 1.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.586 ' CG2' ' CE1' ' B' ' 103' ' ' PHE . 46.6 t -68.57 115.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 1.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.436 ' O ' HG11 ' B' ' 110' ' ' VAL . 58.0 t -135.18 10.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.09 121.14 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 110.049 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.57 ' HE2' ' CD2' ' B' ' 30' ' ' PHE . 1.7 mtt -145.65 153.54 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -155.0 143.05 20.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.213 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' B' ' 39' ' ' PRO . . . -111.31 169.17 8.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.503 ' O ' ' CD ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -143.97 104.53 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -121.79 177.56 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 111.06 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.97 -173.66 45.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.37 -27.14 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 1.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -66.3 -13.26 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.0 109.256 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.516 ' CB ' ' NH2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -110.82 31.82 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 1.0 109.244 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.571 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 5.1 mt -122.4 149.63 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -143.26 102.19 3.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 109.576 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.87 164.66 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.52 -178.54 47.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 1.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 1.0 109.283 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.48 0.181 . . . . 1.0 111.042 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -81.18 54.21 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.58 ' OG1' ' CD2' ' A' ' 6' ' ' HIS . 34.3 p -116.38 155.45 48.46 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 1.0 110.462 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.6 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.18 -43.32 78.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 1.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.58 ' CD2' ' OG1' ' A' ' 3' ' ' THR . 11.6 m-70 -71.6 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.439 ' HE2' ' CB ' ' A' ' 73' ' ' ALA . 30.8 mtm -58.29 -57.87 10.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 m -57.54 -48.22 79.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.433 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.75 72.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.39 -43.23 97.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.618 1.198 . . . . 1.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.57 HG12 ' CD1' ' A' ' 80' ' ' PHE . 56.0 t -58.57 -42.82 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -58.16 9.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -35.88 63.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 1.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 50.5 t80 -67.38 -48.15 68.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.407 ' CG2' HD22 ' A' ' 67' ' ' LEU . 3.0 t -54.34 -46.53 69.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.34 -62.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.36 -39.96 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.9 tp -58.47 -55.45 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -15.13 58.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.93 -13.26 36.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 66.93 25.51 73.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.574 1.171 . . . . 1.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 12.7 t0 -83.22 90.19 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 1.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.22 -51.69 28.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 1.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -54.67 31.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -60.49 -59.98 9.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 44.6 mt -42.0 -37.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.1 t -68.26 -49.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 1.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -62.82 -14.01 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.314 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -64.18 -45.49 88.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.7 p90 -115.53 -176.57 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.5 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -16.63 18.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 1.0 109.252 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.78 12.06 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -52.75 160.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 1.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.6 p -123.0 107.73 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 1.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.479 ' CG2' HG12 ' A' ' 51' ' ' ILE . 41.1 t -90.07 137.75 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -124.17 62.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 1.7 p-10 -138.92 130.42 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.45 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.1 -144.06 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.975 -2.511 . . . . 1.0 110.95 0.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' CB ' HG12 ' B' ' 74' ' ' VAL . 2.1 t -94.78 -178.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.359 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.59 9.44 19.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 1.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 p 69.58 174.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 68.98 71.22 0.38 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.01 -170.4 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 1.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.571 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.5 mmt-85 -128.51 108.54 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.3 p -104.62 122.38 45.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 1.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.41 172.12 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.472 HG21 ' CG1' ' A' ' 27' ' ' VAL . 1.3 m -74.53 -51.96 13.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 1.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.6 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.86 -63.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.479 HG12 ' CG2' ' A' ' 36' ' ' VAL . 97.5 mt -47.77 -47.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -62.42 -36.0 81.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.63 -52.0 67.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 1.2 m-30 -62.9 -63.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 1.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.408 ' CE2' ' OH ' ' A' ' 14' ' ' TYR . 14.5 m-85 -49.52 -27.85 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -74.79 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -43.88 -39.79 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -52.61 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 1.0 OUTLIER -54.46 -19.66 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 1.0 109.36 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.71 -29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 10.9 tp -105.42 139.59 20.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.592 1.838 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.598 HD21 ' CE1' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -77.2 174.79 10.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.67 113.04 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 66' ' ' GLU . 37.4 t -86.49 148.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' N ' HG11 ' A' ' 65' ' ' VAL . 6.1 pt-20 -162.28 122.76 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 1.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 15' ' ' VAL . 1.8 mm? -59.1 142.64 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.511 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 7.6 t -142.77 14.55 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -141.08 -96.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 178.83 179.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 45.2 t -122.1 128.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.495 ' NH1' ' ND2' ' B' ' 120' ' ' ASN . 8.1 mtp85 -115.36 107.31 15.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 1.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.439 ' CB ' ' HE2' ' A' ' 7' ' ' MET . . . -94.59 136.79 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' ASN . 1.4 t -133.28 -147.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . -48.52 95.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 1.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.7 m120 39.19 30.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.228 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -124.92 160.77 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 1.0 110.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -151.22 110.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.88 114.3 18.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.684 ' CE1' ' CB ' ' A' ' 99' ' ' ASP . 30.7 p90 -126.06 163.4 23.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.421 1.076 . . . . 1.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -118.63 131.7 56.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.608 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 18.9 p90 -140.06 173.64 11.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 1.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.511 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.85 167.74 9.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.453 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.578 HG22 ' CE1' ' A' ' 86' ' ' PHE . 7.1 m -153.02 132.93 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -109.86 118.61 36.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 110.022 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.598 ' CE1' HD21 ' A' ' 63' ' ' LEU . 12.5 m-30 -107.01 97.87 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -90.86 104.16 16.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -92.61 -176.73 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.39 67.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 1.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 107.71 16.38 13.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 1.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.4 156.6 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 1.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -154.19 97.78 2.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 1.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 85' ' ' SER . 1.8 m -103.94 162.01 13.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 1.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.6 t -138.02 89.02 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.574 ' CG2' HG12 ' A' ' 121' ' ' ILE . 55.7 t -86.67 159.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -128.63 77.63 77.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.94 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 1.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.492 ' CG1' ' HG3' ' B' ' 72' ' ' ARG . 1.5 mt -130.4 119.47 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.684 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -88.93 143.47 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.417 ' NE2' HD13 ' B' ' 115' ' ' LEU . 0.4 OUTLIER -154.18 100.78 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.57 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.24 177.48 6.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -122.97 178.86 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -133.16 127.61 34.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 106' ' ' ALA . 26.4 t-20 -85.12 111.0 19.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 109.231 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -37.63 -31.95 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 1.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 104' ' ' ASN . . . -138.43 82.85 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 1.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . 157.08 -23.91 0.46 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 1.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER 87.54 -175.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 0.761 . . . . 1.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.571 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 9.1 t -55.58 116.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.476 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 97.2 t -117.44 -69.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 1.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.0 m -72.57 122.93 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 1.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.47 ' HE2' ' CG ' ' A' ' 30' ' ' PHE . 5.2 mtt -138.32 138.18 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -140.35 135.47 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -117.15 156.15 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' B' ' 77' ' ' GLU . 0.7 OUTLIER -136.1 151.74 50.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD1' HG22 ' B' ' 74' ' ' VAL . 6.3 p90 -166.62 146.04 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -154.15 170.07 32.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 1.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.41 -3.7 35.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 1.0 110.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.9 tptm -74.04 -4.05 33.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.085 . . . . 1.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -152.73 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 1.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.574 HG12 ' CG2' ' A' ' 95' ' ' VAL . 5.7 mt -130.58 141.66 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -129.26 81.41 2.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 1.0 109.55 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.68 122.35 27.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.35 179.48 25.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 1.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.413 0.713 . . . . 1.0 109.297 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.486 0.184 . . . . 1.0 110.924 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.66 87.98 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' B' ' 6' ' ' HIS . 0.6 OUTLIER -156.29 155.87 29.5 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.391 1.057 . . . . 1.0 110.425 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.421 ' O ' ' OG1' ' B' ' 8' ' ' THR . 18.3 Cg_endo -75.05 -42.13 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 1.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.478 ' HB2' ' CG2' ' B' ' 3' ' ' THR . 7.0 t-160 -70.43 -64.88 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 1.0 109.65 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.537 ' SD ' ' CB ' ' B' ' 73' ' ' ALA . 23.3 ptp -50.55 -43.02 56.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.516 ' N ' ' HG3' ' B' ' 7' ' ' MET . 97.6 m -63.09 -41.6 99.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.45 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.94 -44.42 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.352 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' B' ' 80' ' ' PHE . 2.6 t -54.38 -50.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -58.61 -43.33 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -45.05 93.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.593 ' CD2' HD22 ' B' ' 18' ' ' LEU . 85.9 t80 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' B' ' 18' ' ' LEU . 6.1 t -47.65 -47.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.82 -52.56 40.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -33.84 75.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.593 HD22 ' CD2' ' B' ' 14' ' ' TYR . 4.6 mm? -62.92 -45.19 93.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.9 -34.37 77.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.74 -7.3 57.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.472 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 67.43 16.77 67.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.568 1.167 . . . . 1.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.517 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 7.7 t0 -58.96 97.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 0.728 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 0.8 OUTLIER -74.64 -74.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -47.99 -42.26 27.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.56 -60.92 7.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 1.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.543 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 54.7 mt -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.609 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.0 t -77.78 -33.52 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -85.07 -6.27 59.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 9.0 tt -63.44 -45.53 90.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 1.5 p90 -106.21 -177.25 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -45.48 169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' B' ' 48' ' ' THR . 3.4 p30 -93.56 -4.59 50.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 1.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -136.41 28.03 3.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.361 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -71.97 163.4 27.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 82.0 p -113.32 121.1 43.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.484 HG22 ' CG2' ' B' ' 51' ' ' ILE . 86.7 t -96.08 145.39 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.412 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 9.6 tp10 -136.65 57.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 1.0 110.213 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.519 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 1.0 OUTLIER -138.05 148.53 60.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.519 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.03 -65.17 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.961 -2.516 . . . . 1.0 111.008 0.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.483 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.2 OUTLIER -155.14 -176.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.65 11.33 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 1.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t 65.42 -179.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 1.0 109.948 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 66.57 75.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.6 39.6 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.509 1.794 . . . . 1.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.517 ' CG ' ' CB ' ' B' ' 50' ' ' ALA . 0.7 OUTLIER -92.84 117.31 29.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 110.349 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -103.55 122.82 45.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 112.22 124.95 4.44 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.142 . . . . 1.0 111.088 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.503 ' CG2' ' CG1' ' B' ' 27' ' ' VAL . 2.9 m -44.38 -25.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 1.0 110.393 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -63.99 -56.55 14.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 1.0 109.356 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.517 ' CB ' ' CG ' ' B' ' 45' ' ' ARG . . . -65.64 -26.15 67.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 1.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.486 HG22 ' CE1' ' B' ' 30' ' ' PHE . 79.0 mt -67.37 -69.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.0 OUTLIER -50.63 -34.61 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 1.0 110.286 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -58.97 -58.34 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 1.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -56.8 10.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.466 ' HB3' ' CD2' ' B' ' 23' ' ' LEU . 2.1 m-85 -50.55 -28.53 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -74.87 -53.96 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -60.32 -23.45 64.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 1.143 . . . . 1.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -66.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 1.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.472 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.9 OUTLIER -53.88 -19.8 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -40.06 -29.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.452 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.9 tp -83.12 139.3 42.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 1.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.1 Cg_endo -74.98 77.94 3.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 1.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.83 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.68 118.7 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.428 HG12 ' CD2' ' B' ' 82' ' ' PHE . 79.3 t -87.1 143.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.411 ' N ' HG11 ' B' ' 65' ' ' VAL . 25.7 pt-20 -144.96 148.6 34.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.71 142.71 27.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 1.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.458 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.2 t 179.14 67.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.1 OUTLIER -179.12 -147.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -112.69 164.55 13.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 59.1 t -130.88 96.85 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.492 ' HG3' ' CG1' ' A' ' 98' ' ' ILE . 10.0 mmt180 -71.03 89.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 110.317 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.537 ' CB ' ' SD ' ' B' ' 7' ' ' MET . . . -90.8 156.47 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.575 HG22 ' CD1' ' A' ' 116' ' ' PHE . 2.4 p -171.55 -148.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.541 ' N ' ' CG1' ' B' ' 74' ' ' VAL . . . -45.36 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 1.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.4 OUTLIER 36.02 32.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -126.09 152.38 45.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 110.266 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -147.82 119.11 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' B' ' 100' ' ' HIS . . . -124.93 91.43 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.585 ' CZ ' HG11 ' B' ' 11' ' ' VAL . 30.4 p90 -109.2 161.38 15.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 1.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' B' ' 69' ' ' GLN . . . -115.41 124.25 50.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 1.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 9.7 p90 -123.67 -175.69 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.458 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -125.07 153.26 43.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.48 HG12 ' CD ' ' B' ' 97' ' ' PRO . 0.9 OUTLIER -127.6 121.1 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -95.19 119.32 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' B' ' 93' ' ' THR . 2.5 p90 -150.98 133.87 15.85 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 1.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -129.31 142.88 50.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 1.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -158.16 144.76 17.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 1.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.92 50.02 13.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 1.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.64 20.39 12.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.446 1.091 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.03 109.24 12.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 1.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.463 ' HD2' ' CB ' ' B' ' 125' ' ' ALA . 0.0 OUTLIER -90.06 147.85 23.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 27.8 m -157.07 143.17 17.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 110.37 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -126.92 116.68 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.573 HG12 ' CZ ' ' B' ' 116' ' ' PHE . 99.5 t -94.49 168.04 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -137.06 74.39 49.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.581 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.14 159.12 41.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 1.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.424 HG13 ' NH2' ' A' ' 72' ' ' ARG . 26.3 mt -109.81 116.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.496 ' HB3' ' CE1' ' B' ' 80' ' ' PHE . 1.5 m-20 -93.4 124.17 37.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.515 ' O ' ' CD2' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -139.08 120.25 14.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.656 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.491 ' CB ' ' HA ' ' B' ' 112' ' ' MET . 5.6 p90 -156.19 169.72 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 111.072 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.426 ' HB3' ' CG ' ' B' ' 77' ' ' GLU . 4.6 ptm180 -133.32 159.41 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.576 ' C ' ' CD1' ' B' ' 103' ' ' PHE . 1.7 p90 -169.3 162.13 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 1.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.36 -175.6 3.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.73 -147.98 32.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 1.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.39 75.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 1.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.34 43.37 6.61 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.493 1.121 . . . . 1.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.457 ' C ' ' HB2' ' B' ' 103' ' ' PHE . 0.5 OUTLIER -105.28 74.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 1.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.444 HG21 ' CB ' ' B' ' 103' ' ' PHE . 2.1 t -91.37 128.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.509 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 38.6 t -128.26 3.26 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.44 121.37 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.491 ' HA ' ' CB ' ' B' ' 101' ' ' PHE . 1.1 ptm -151.85 147.8 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.511 ' HB2' ' CE1' ' B' ' 100' ' ' HIS . 1.9 mtm180 -140.48 170.03 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' B' ' 38' ' ' ASP . . . -145.1 164.38 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 1.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.424 HD22 ' CG2' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -134.03 106.64 7.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.573 ' CZ ' HG12 ' B' ' 95' ' ' VAL . 8.7 t80 -112.94 75.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.07 -176.98 32.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -109.96 0.31 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 1.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.33 23.03 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.495 ' ND2' ' NH1' ' A' ' 72' ' ' ARG . 2.0 p30 -146.95 52.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.212 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.528 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 7.8 mt -133.61 143.77 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -133.95 101.44 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 1.0 109.555 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.36 172.72 13.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.08 173.83 39.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 1.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.56 0.219 . . . . 1.0 111.04 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -163.9 66.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 1.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.517 ' O ' ' SD ' ' A' ' 7' ' ' MET . 31.0 p -92.79 155.65 41.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 1.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 13.0 pt-20 -68.42 -28.49 67.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.421 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 7.1 t60 -75.99 -65.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.585 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 3' ' ' THR . 0.9 OUTLIER -52.38 -44.38 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 88.7 m -65.6 -44.23 87.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -58.57 -32.94 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.7 t -69.28 -48.7 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.572 HG13 ' CD2' ' A' ' 80' ' ' PHE . 2.6 t -52.92 -41.83 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -50.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -33.69 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.348 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.458 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 3.0 t80 -67.35 -47.12 71.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG2' HD22 ' A' ' 67' ' ' LEU . 3.3 t -57.95 -47.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -53.8 52.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 1.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.51 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 13.1 tp -57.29 -54.13 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.435 ' ND2' ' CB ' ' A' ' 64' ' ' ALA . 10.8 t-20 -57.75 -24.66 58.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.76 30.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 1.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.15 40.54 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 1.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 1.6 t0 -92.82 94.9 9.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 1.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -74.78 -75.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 1.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 5.8 t0 -50.95 -39.68 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -59.84 -60.34 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 1.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.505 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 42.5 mt -52.31 -28.65 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 1.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.579 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 13.7 t -78.23 -30.05 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 1.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -84.95 -11.7 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -60.47 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 23.7 p90 -84.6 -175.44 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' PHE . . . -49.39 177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -105.48 -12.15 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.17 27.14 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -75.49 178.23 6.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.7 p -126.81 125.07 41.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.491 HG22 ' CG2' ' A' ' 51' ' ' ILE . 87.6 t -97.55 137.74 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 34.0 mt-10 -135.35 64.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.46 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -109.04 134.71 20.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . 18.4 Cg_endo -74.96 -49.33 0.23 Allowed 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.046 -2.481 . . . . 1.0 110.943 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.476 ' CG2' HG13 ' B' ' 74' ' ' VAL . 2.4 t -115.84 -174.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -52.23 -19.47 5.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 1.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -53.32 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER 82.56 76.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 166.16 29.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.446 1.761 . . . . 1.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.41 146.1 36.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 1.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 p -139.94 136.29 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 1.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 147.98 23.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -62.47 -12.71 23.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 0.753 . . . . 1.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.11 -66.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.491 ' CG2' HG22 ' A' ' 36' ' ' VAL . 68.0 mt -67.72 -68.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 48' ' ' THR . 40.0 ttm180 -50.32 -34.05 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 6.6 tt0 -62.61 -64.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 1.0 110.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.649 ' CE1' ' NH1' ' A' ' 45' ' ' ARG . 10.1 t80 -54.09 -51.77 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.06 -32.29 66.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 1.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . . . -68.32 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -52.85 -21.11 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 1.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t -73.71 -59.7 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 1.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.98 -21.48 58.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.356 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.36 -23.49 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 12.8 tp -79.27 134.3 59.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 70.13 5.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -125.34 -176.41 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.435 ' CB ' ' ND2' ' A' ' 19' ' ' ASN . . . -145.77 164.9 30.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 82' ' ' PHE . 91.3 t -138.63 137.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 1.2 tt0 -151.84 139.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 1.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.43 HD22 ' CG2' ' A' ' 15' ' ' VAL . 2.0 mm? -81.57 116.22 21.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -113.78 -26.63 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -87.16 -93.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.14 175.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.501 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 62.0 t -115.23 123.46 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.559 ' CZ ' ' ND2' ' B' ' 120' ' ' ASN . 3.7 mmm180 -98.21 82.38 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.474 ' CB ' ' HE1' ' A' ' 7' ' ' MET . . . -88.63 126.82 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 75' ' ' ALA . 2.3 p -144.94 -148.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.556 ' N ' ' CG1' ' A' ' 74' ' ' VAL . . . -41.56 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 1.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' VAL . 2.3 m-80 36.81 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.9 OUTLIER -122.82 158.75 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -152.4 86.36 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 1.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.663 ' CB ' ' CE1' ' A' ' 100' ' ' HIS . . . -100.6 96.51 7.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 45.2 p90 -114.14 149.21 35.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 1.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -108.85 125.54 52.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 1.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CD2' HG12 ' A' ' 65' ' ' VAL . 44.1 p90 -128.89 168.67 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -111.51 144.93 39.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.474 HG11 ' CD ' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -118.99 129.7 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -108.86 120.32 42.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 93' ' ' THR . 2.7 p90 -141.51 147.0 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -113.18 119.91 39.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -94.4 -174.0 3.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 1.0 111.0 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.47 92.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 1.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 52.22 49.77 49.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 1.0 111.004 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -159.27 157.04 29.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 1.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -123.63 137.42 54.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 1.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.564 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 87.1 m -146.47 143.83 29.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.08 122.95 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 86' ' ' PHE . 21.7 t -103.12 170.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.447 ' CB ' ' ND2' ' A' ' 120' ' ' ASN . . . -143.46 68.59 17.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 18.3 Cg_endo -75.0 161.34 38.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 1.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.482 HG23 ' CE1' ' A' ' 100' ' ' HIS . 10.6 mt -114.05 116.0 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 1.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -89.78 135.99 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.663 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -122.71 93.94 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.0 109.603 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 112' ' ' MET . 6.0 m-30 -90.08 147.48 23.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.16 116.38 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -82.94 123.75 29.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 1.0 111.052 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -159.28 -161.3 0.92 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 1.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 107' ' ' GLY . . . 60.08 20.5 54.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 1.0 111.08 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.21 29.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 1.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -136.31 -42.77 0.11 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 1.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER 164.91 -167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 1.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.495 HG21 ' CD1' ' A' ' 103' ' ' PHE . 18.0 t -51.57 116.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.476 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 76.0 t -110.33 -4.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 1.0 109.384 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -160.4 132.95 6.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 1.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.569 ' HB2' ' CD1' ' A' ' 101' ' ' PHE . 5.0 ptp -151.57 133.13 14.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.474 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -133.99 142.53 47.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 39' ' ' PRO . . . -101.96 168.15 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.67 106.49 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 39' ' ' PRO . 6.5 m-85 -100.76 -175.4 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -169.14 172.6 43.43 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.527 1.142 . . . . 1.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.4 -7.6 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 1.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.38 17.62 20.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.505 ' OD1' ' CZ ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -122.07 24.78 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.485 ' C ' ' CD2' ' A' ' 122' ' ' HIS . 2.0 mt -126.51 149.48 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.9 OUTLIER -141.6 102.63 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.638 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.79 170.14 16.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.7 179.37 39.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.441 1.088 . . . . 1.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.74 . . . . 1.0 109.354 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' B' ' 106' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.197 . . . . 1.0 110.985 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 170.11 103.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.578 HG22 ' CG ' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -151.1 153.26 32.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 110.404 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.2 Cg_endo -75.06 -36.24 2.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 1.3 pt-20 -61.64 -30.12 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 1.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.578 ' CG ' HG22 ' B' ' 3' ' ' THR . 9.1 m170 -80.51 -67.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.574 ' HA ' ' CZ ' ' B' ' 103' ' ' PHE . 1.5 ptm -48.08 -40.05 22.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 1.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.529 ' CB ' ' O ' ' B' ' 4' ' ' PRO . 55.8 m -71.68 -49.73 36.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 1.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -53.76 -36.06 61.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 1.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' B' ' 29' ' ' LEU . 5.2 t -69.84 -47.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.563 HG12 ' CD1' ' B' ' 80' ' ' PHE . 2.5 t -50.55 -39.76 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -67.82 -56.27 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -54.28 -29.12 46.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 1.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 7.6 t80 -71.81 -52.04 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 1.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 t -52.5 -46.48 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.21 70.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.451 ' CB ' HG12 ' B' ' 26' ' ' ILE . . . -55.75 -24.7 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.425 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 16.0 tp -78.11 -48.2 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.196 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -56.83 -31.51 64.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 1.0 109.418 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.49 -24.94 36.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 1.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.476 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 70.48 52.48 16.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 111.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -110.8 89.24 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 1.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' B' ' 27' ' ' VAL . 7.1 mt -59.93 -41.44 91.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.14 -55.04 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -65.31 -63.44 4.12 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.591 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 71.1 mt -40.89 -38.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 1.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.572 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 24.3 t -68.66 -48.84 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 1.0 109.23 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -64.5 -12.0 39.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -70.02 -65.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 28.5 p90 -90.73 -176.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.84 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' B' ' 48' ' ' THR . 0.2 OUTLIER -110.76 5.74 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -145.79 19.85 1.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 1.0 109.383 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -64.84 -177.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 61.7 p -133.66 121.74 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.36 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.46 ' CG2' HG12 ' B' ' 51' ' ' ILE . 29.4 t -98.94 137.83 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.47 ' CG ' ' HG2' ' B' ' 113' ' ' ARG . 7.2 tp10 -140.74 92.72 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.487 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.6 OUTLIER -147.47 145.58 22.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 1.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' B' ' 116' ' ' PHE . 18.2 Cg_endo -75.01 -63.53 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.027 -2.489 . . . . 1.0 111.004 0.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.483 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -160.99 166.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 109.288 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 119.02 5.69 11.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 1.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 84.97 -178.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 1.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 76.8 69.86 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -177.74 3.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 1.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmm-85 -139.71 98.21 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -92.31 140.59 29.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.21 147.12 20.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 1.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.465 ' CG2' ' CG1' ' B' ' 27' ' ' VAL . 0.2 OUTLIER -61.8 -21.46 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 1.0 110.421 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.25 -60.48 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 1.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.23 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.545 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 52.6 mt -66.32 -68.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 17.3 ttp180 -52.1 -33.69 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 1.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 19.6 mt-10 -63.62 -44.34 94.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 1.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -54.82 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.468 ' HB3' ' CD2' ' B' ' 23' ' ' LEU . 20.7 m-85 -59.96 -28.05 67.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 1.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -78.26 -73.66 0.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 1.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.55 -29.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.41 ' N ' ' C ' ' B' ' 56' ' ' ALA . 98.5 p -82.96 -45.74 13.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 1.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.476 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 7.3 mt -55.55 -20.95 14.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 1.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.491 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -96.69 140.5 22.18 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.491 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.98 55.39 3.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.407 1.74 . . . . 1.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.504 ' CD2' ' HB3' ' B' ' 86' ' ' PHE . 26.2 mt -53.8 166.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' B' ' 85' ' ' SER . . . -141.32 64.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' B' ' 83' ' ' THR . 33.0 t -76.55 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 1.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.74 146.06 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 1.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.6 156.0 37.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' B' ' 69' ' ' GLN . 0.1 OUTLIER 174.65 57.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -167.95 -92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.426 ' HG3' ' NH1' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -167.93 161.72 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.483 HG23 ' CB ' ' B' ' 80' ' ' PHE . 96.1 t -127.16 117.12 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.505 ' CZ ' ' OD1' ' A' ' 120' ' ' ASN . 16.1 mmp_? -89.37 82.15 6.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.484 ' CB ' ' HE1' ' B' ' 7' ' ' MET . . . -90.83 114.06 26.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' B' ' 76' ' ' ASN . 1.4 t -136.41 -146.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -44.37 90.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 74' ' ' VAL . 26.0 m-20 35.35 35.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 1.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 75' ' ' ALA . 1.0 OUTLIER -132.95 105.32 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 1.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -103.22 95.26 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -107.21 97.34 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' B' ' 99' ' ' ASP . 48.4 p90 -117.16 161.9 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.487 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -114.21 126.54 55.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.436 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 36.7 p90 -130.25 -177.92 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 1.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.432 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -118.83 158.88 24.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.54 ' CG1' ' CD ' ' B' ' 97' ' ' PRO . 0.3 OUTLIER -136.78 100.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -79.96 126.45 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 1.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 5.5 p90 -155.65 137.07 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.468 ' CG ' ' HG2' ' B' ' 92' ' ' LYS . 25.3 tt0 -117.77 128.01 54.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.514 ' O ' ' N ' ' B' ' 90' ' ' GLY . 1.2 m-85 -101.46 162.08 13.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -63.82 70.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 173.17 -32.54 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 1.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -179.06 179.64 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 0.789 . . . . 1.0 110.315 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.468 ' HG2' ' CG ' ' B' ' 87' ' ' GLU . 3.8 mttp -100.88 158.37 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.565 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 28.2 m -156.74 154.41 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 110.395 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -142.9 117.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 1.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.427 HG22 ' CE1' ' B' ' 86' ' ' PHE . 21.7 t -94.89 165.58 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.453 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -138.92 67.95 42.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.586 ' HB3' ' CD1' ' B' ' 116' ' ' PHE . 18.1 Cg_endo -75.04 162.41 37.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 1.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' B' ' 81' ' ' ALA . 33.4 mt -112.64 116.4 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 1.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.582 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 1.0 OUTLIER -87.24 142.59 27.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -140.65 95.1 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 109.605 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 15.7 m-30 -96.02 140.98 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 1.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 114.61 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 16.4 m-85 -88.79 167.09 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.39 -177.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 58.94 -155.73 25.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 1.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' B' ' 1' ' ' MET . . . -40.86 -38.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.16 59.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 1.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -136.15 165.14 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 0.794 . . . . 1.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 17.4 t -93.0 119.13 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.49 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 77.0 t -115.93 -8.26 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' SER . . . . . 0.45 ' OG ' ' NH2' ' B' ' 113' ' ' ARG . 4.8 t -147.92 133.23 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 1.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 133.76 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.47 ' HG2' ' CG ' ' B' ' 37' ' ' GLU . 3.7 mtt85 -133.51 148.3 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 39' ' ' PRO . . . -117.97 161.98 18.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 77' ' ' GLU . 1.5 mp -137.82 120.36 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' B' ' 97' ' ' PRO . 3.9 m-85 -110.98 -175.74 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.98 39.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 1.0 111.033 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.87 -69.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 1.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -60.28 -14.72 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 1.0 109.237 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.559 ' ND2' ' CZ ' ' A' ' 72' ' ' ARG . 2.0 t-20 -54.91 -19.09 5.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.6 mt -96.2 134.91 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.1 OUTLIER -125.34 92.64 3.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 1.0 109.61 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.96 169.83 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . 171.8 173.11 38.39 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 1.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 1.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 3' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.473 0.178 . . . . 1.0 111.038 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -59.09 87.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 1' ' ' MET . 46.7 p -98.44 155.47 36.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 1.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -32.49 5.31 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.526 1.803 . . . . 1.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.2 -46.91 86.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 1.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -71.58 -45.37 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.543 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.447 ' HE1' ' CB ' ' A' ' 73' ' ' ALA . 11.5 mtm -53.62 -50.68 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -64.1 -48.41 76.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.34 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 1.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.4 t -68.78 -40.71 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 t -57.42 -42.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -52.43 50.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 1.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -56.79 -35.29 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 110.232 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -65.67 -54.1 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 1.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 80.9 t -58.46 -61.2 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.47 -45.12 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 1.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' CB ' HG12 ' A' ' 26' ' ' ILE . . . -60.19 -37.75 81.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.203 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 23.5 tp -62.97 -57.65 10.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.59 -23.88 59.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 1.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.09 46.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.464 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 86.32 46.05 5.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 1.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.505 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -98.65 91.83 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 0.796 . . . . 1.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.03 -69.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -35.07 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.372 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.15 -62.07 6.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 1.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.52 HG23 ' CE2' ' A' ' 55' ' ' TYR . 51.2 mt -53.22 -45.8 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 59.5 t -60.41 -30.62 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.15 -21.07 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.26 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tt -56.71 -49.27 75.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 7.6 p90 -108.69 -175.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' CB ' HG21 ' A' ' 110' ' ' VAL . . . -44.84 167.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' O ' ' CG2' ' A' ' 48' ' ' THR . 1.7 m-20 -98.19 -10.82 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 1.0 109.395 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.11 15.27 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.85 160.7 3.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 1.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 46' ' ' SER . 69.7 p -112.95 142.49 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' PRO . 3.1 t -116.41 153.53 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 1.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 3.3 tm-20 -159.49 60.17 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.53 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -129.65 134.87 26.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.378 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.53 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -75.08 -69.12 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.065 -2.473 . . . . 1.0 111.017 0.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG22 ' CG1' ' B' ' 74' ' ' VAL . 0.1 OUTLIER -156.78 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.283 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 123.87 0.09 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.401 1.063 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 85.54 -172.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 109.989 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' SER . 10.7 pt-20 42.4 81.49 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 1.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.04 154.1 42.08 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.451 1.764 . . . . 1.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -104.37 105.67 15.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 35' ' ' THR . 11.6 p -110.11 166.65 10.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 91.99 125.1 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.9 p -41.29 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 1.0 110.411 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -66.09 -61.97 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -59.94 -50.16 74.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.47 ' CD1' ' CG2' ' A' ' 36' ' ' VAL . 3.6 mt -56.44 -31.02 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' THR . 10.2 ttt180 -74.76 -73.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 1.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -45.84 -30.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 15.8 t80 -72.81 -67.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.52 ' CE2' HG23 ' A' ' 26' ' ' ILE . 5.8 m-85 -47.72 -42.21 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 1.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 59' ' ' LEU . . . -64.59 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -45.34 -26.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' ALA . 3.8 t -79.64 -43.04 23.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -62.18 -24.25 67.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -22.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.492 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 9.6 tp -98.16 140.27 21.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.07 55.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.427 1.751 . . . . 1.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -93.41 144.95 24.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.518 1.136 . . . . 1.0 109.349 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.437 ' N ' ' CD2' ' A' ' 63' ' ' LEU . . . -121.64 105.0 10.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 82' ' ' PHE . 5.9 t -103.88 140.78 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 8.6 tt0 -172.95 147.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.408 1.068 . . . . 1.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 82' ' ' PHE . 2.3 pp -77.06 157.77 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 68' ' ' THR . 0.9 OUTLIER -173.17 53.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 1.0 110.451 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -166.02 -98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.67 161.01 38.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 1.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 62.4 t -129.42 118.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.498 ' NH2' ' ND2' ' B' ' 120' ' ' ASN . 0.7 OUTLIER -86.46 74.32 9.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' CB ' ' HE1' ' A' ' 7' ' ' MET . . . -90.54 77.66 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 1.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' B' ' 40' ' ' VAL . 10.0 p -141.29 155.53 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.485 ' CB ' ' HB ' ' B' ' 40' ' ' VAL . . . 54.26 49.92 17.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 46.38 33.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 1.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' OE1' ' NE2' ' A' ' 100' ' ' HIS . 1.2 mt-10 -136.05 125.7 25.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 1.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -105.76 88.3 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 1.0 109.234 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 72' ' ' ARG . . . -101.95 84.51 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.569 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 38.8 p90 -107.07 165.07 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -111.65 130.95 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 44.8 p90 -136.23 160.78 37.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -101.52 165.15 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -149.21 113.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.85 122.28 40.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 93' ' ' THR . 2.9 p90 -140.38 134.04 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -104.11 120.63 41.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -95.3 -175.02 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 111.006 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 89' ' ' GLN . 4.6 pt20 -54.68 87.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.247 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 68.29 41.32 86.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 1.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.422 ' CG ' ' C ' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -154.84 162.59 41.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 1.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -146.67 124.69 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.6 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 17.2 m -135.04 154.69 51.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -132.65 113.16 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.501 HG22 ' CE1' ' A' ' 86' ' ' PHE . 79.1 t -98.08 148.79 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' B' ' 72' ' ' ARG . . . -126.4 68.89 67.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.2 Cg_endo -75.08 170.36 20.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 1.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.466 HD12 ' CZ ' ' B' ' 72' ' ' ARG . 67.4 mt -114.85 117.42 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.569 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.2 m-20 -89.12 125.82 35.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 77' ' ' GLU . 1.1 t-80 -121.52 104.62 9.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 1.0 109.651 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 101' ' ' PHE . 8.1 m-30 -99.69 162.52 12.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 1.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -127.58 127.2 43.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 1.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.718 ' CZ ' ' CG2' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -111.07 113.67 26.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.53 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.4 OUTLIER -169.71 -87.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . -25.64 137.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.577 1.173 . . . . 1.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 42.48 41.84 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 1.0 109.251 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 104' ' ' ASN . . . 40.56 47.21 3.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 1.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.28 -176.57 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 1.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.718 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 21.2 t -65.53 129.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 110' ' ' VAL . 52.4 t -134.8 10.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.0 146.29 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.486 ' HE3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -159.19 103.65 1.65 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.067 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 9.2 mtt180 -117.31 173.63 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.493 ' CB ' ' OD1' ' A' ' 38' ' ' ASP . . . -142.77 159.79 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 1.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.62 103.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.8 OUTLIER -114.82 125.17 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.504 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -91.14 -172.36 43.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -108.24 5.65 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 1.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 11.14 10.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 1.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.04 35.68 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 1.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 5.1 mp -132.48 148.97 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 1.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -130.02 104.69 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.82 158.68 15.74 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 1.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.75 174.98 44.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 1.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 1.0 109.239 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.447 0.165 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 72.36 54.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 38.4 p -95.32 155.58 38.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.401 ' O ' ' OG1' ' B' ' 8' ' ' THR . 18.4 Cg_endo -74.95 -37.37 2.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 1.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 2.8 mt-10 -66.11 -39.24 89.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.45 ' O ' ' CG2' ' B' ' 10' ' ' VAL . 15.1 t60 -70.67 -48.12 56.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 1.0 109.607 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' B' ' 77' ' ' GLU . 62.9 mtm -59.9 -60.45 3.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 4' ' ' PRO . 4.4 m -54.84 -42.48 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -61.71 -36.4 80.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 1.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' B' ' 6' ' ' HIS . 48.9 t -66.38 -38.35 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.521 HG23 ' CD1' ' B' ' 80' ' ' PHE . 5.5 t -62.85 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.626 1.204 . . . . 1.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -37.79 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.76 -45.0 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.441 ' CG1' HG13 ' B' ' 65' ' ' VAL . 3.0 t -61.82 -46.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.1 -60.7 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 21' ' ' GLY . . . -49.6 -44.86 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.42 -55.15 31.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -62.01 -20.42 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.2 -16.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' B' ' 17' ' ' ALA . . . 67.46 31.19 76.13 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.103 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -82.53 73.1 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 0.76 . . . . 1.0 109.369 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' B' ' 27' ' ' VAL . 30.8 mt -51.66 -34.74 39.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.39 -33.02 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 1.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.602 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 26.2 mt -72.83 -48.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 1.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.571 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 71.4 t -63.1 -16.79 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.88 -26.87 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.59 -39.83 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.9 p90 -116.7 -174.67 2.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -50.27 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -100.9 -20.03 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -126.38 38.89 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' CE ' ' B' ' 112' ' ' MET . . . -78.62 156.25 29.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' B' ' 46' ' ' SER . 24.6 p -104.32 124.84 49.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.485 HG22 ' CG1' ' B' ' 51' ' ' ILE . 2.0 t -119.04 140.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HG3' ' CG ' ' B' ' 113' ' ' ARG . 9.0 pt-20 -134.13 102.39 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' B' ' 54' ' ' PHE . 1.0 OUTLIER -119.42 136.31 24.52 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -75.01 -46.58 0.36 Allowed 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 1.0 110.968 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.485 ' HB ' ' CB ' ' A' ' 75' ' ' ALA . 2.0 t -116.02 -170.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 1.0 109.365 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' B' ' 43' ' ' GLU . . . -50.12 -20.55 3.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.4 p -53.87 88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 1.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 41' ' ' GLY . 3.0 mm-40 81.5 78.76 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 1.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' B' ' 50' ' ' ALA . 3.4 mmt-85 -155.2 176.53 12.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.46 ' HB3' ' CG2' ' B' ' 35' ' ' THR . 77.4 p -170.31 156.07 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 1.0 110.002 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.36 153.67 30.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.474 ' CG2' ' CG1' ' B' ' 27' ' ' VAL . 39.8 p -59.8 -17.09 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 1.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.465 ' HB3' ' CG ' ' B' ' 45' ' ' ARG . . . -61.41 -33.13 73.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.485 ' CG1' HG22 ' B' ' 36' ' ' VAL . 9.4 mt -59.39 -62.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -62.05 -32.76 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.85 -43.13 98.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 1.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' B' ' 38' ' ' ASP . 0.3 OUTLIER -70.79 -60.08 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 1.0 111.078 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' B' ' 59' ' ' LEU . 16.3 m-85 -54.46 -28.4 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 1.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -79.47 -50.08 11.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -48.87 -40.18 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 -49.91 15.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.962 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 0.4 OUTLIER -53.87 -19.78 4.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -40.02 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 1.0 109.228 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.515 HD12 ' CG ' ' B' ' 88' ' ' TYR . 15.8 tp -111.35 133.76 21.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.96 65.38 6.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 1.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.699 ' CD2' ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.48 175.18 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . 0.418 ' N ' HD11 ' B' ' 63' ' ' LEU . . . -128.82 100.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.441 HG13 ' CG1' ' B' ' 15' ' ' VAL . 2.6 t -72.16 153.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -171.66 133.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.59 170.77 15.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.502 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.1 OUTLIER -171.6 -45.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 110.412 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.45 -97.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.485 ' HE2' ' NH2' ' B' ' 72' ' ' ARG . 0.0 OUTLIER 176.68 -178.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 1.0 110.283 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' B' ' 80' ' ' PHE . 66.4 t -122.82 142.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.485 ' NH2' ' HE2' ' B' ' 70' ' ' GLU . 0.9 OUTLIER -118.91 88.73 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.404 ' C ' ' CG2' ' B' ' 74' ' ' VAL . . . -88.47 137.6 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.484 ' CG1' HG22 ' A' ' 40' ' ' VAL . 1.6 t -148.07 -144.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' B' ' 77' ' ' GLU . . . -47.86 94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.3 OUTLIER 38.72 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 1.9 mm-40 -123.16 156.31 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.51 95.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 1.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.75 110.15 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 109.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' B' ' 99' ' ' ASP . 47.3 p90 -125.79 162.8 24.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.477 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -115.7 121.71 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 1.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' B' ' 97' ' ' PRO . 35.2 p90 -123.57 169.25 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.502 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -114.4 163.97 14.6 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 1.0 110.402 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.746 ' CG2' ' CE2' ' B' ' 86' ' ' PHE . 0.9 OUTLIER -152.64 128.92 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 1.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' B' ' 93' ' ' THR . 0.5 OUTLIER -98.87 98.41 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 1.0 110.019 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.746 ' CE2' ' CG2' ' B' ' 84' ' ' VAL . 44.0 m-85 -83.51 93.2 7.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -91.82 103.13 15.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.2 OUTLIER -91.74 -177.69 4.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 1.0 111.009 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -64.39 66.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 108.99 18.24 9.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 1.0 111.024 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.08 155.03 47.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 0.751 . . . . 1.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.02 98.82 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 1.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' B' ' 85' ' ' SER . 1.3 m -106.09 158.68 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 1.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 1.1 t -134.72 93.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.501 ' CG2' HG12 ' B' ' 121' ' ' ILE . 65.6 t -92.07 143.24 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.429 ' N ' HG11 ' B' ' 95' ' ' VAL . . . -125.33 70.29 62.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.643 ' CB ' ' CZ ' ' B' ' 116' ' ' PHE . 18.1 Cg_endo -75.04 160.58 39.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.539 1.81 . . . . 1.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.481 ' CD1' ' HD2' ' A' ' 72' ' ' ARG . 11.7 mt -112.66 115.11 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.591 ' OD2' ' CZ ' ' B' ' 101' ' ' PHE . 1.5 t70 -86.8 145.94 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.437 ' NE2' ' OE2' ' B' ' 77' ' ' GLU . 15.7 t-160 -139.64 111.66 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.591 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 17.8 m-85 -107.28 140.13 40.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.5 ' CZ ' ' OG ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -126.84 102.93 7.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 1.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' B' ' 109' ' ' VAL . 3.1 m-85 -73.36 147.45 44.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' B' ' 103' ' ' PHE . 3.8 m120 -163.92 -156.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 45.46 57.38 5.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 1.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 76.36 -72.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 0.751 . . . . 1.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.86 74.74 0.19 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.149 . . . . 1.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -168.87 137.94 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 1.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' B' ' 103' ' ' PHE . 47.2 t -70.18 116.6 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.442 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 84.1 t -124.89 2.15 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 1.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' SER . . . . . 0.5 ' OG ' ' CZ ' ' B' ' 102' ' ' ARG . 0.6 OUTLIER -136.81 128.71 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 1.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.494 ' CE ' ' CB ' ' B' ' 34' ' ' ALA . 2.0 mpt? -141.01 134.87 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HG3' ' B' ' 37' ' ' GLU . 3.9 tmm_? -154.32 142.72 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' B' ' 39' ' ' PRO . . . -111.19 174.82 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.447 ' O ' ' NH1' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -148.86 95.8 2.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -101.49 -174.33 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.487 ' O ' ' CD1' ' B' ' 121' ' ' ILE . . . -175.18 -176.44 43.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.447 1.092 . . . . 1.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -110.52 12.39 22.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 0.788 . . . . 1.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 10.27 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.537 HD21 ' N ' ' B' ' 120' ' ' ASN . 1.2 m-80 -129.99 17.62 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 1.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.501 HG12 ' CG2' ' B' ' 95' ' ' VAL . 13.2 mt -111.42 139.01 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 1.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 1.6 m-70 -127.13 77.08 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 1.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.69 124.72 28.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . -149.36 173.37 29.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 1.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.497 0.189 . . . . 1.0 111.002 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 103' ' ' PHE . 12.8 t-20 -122.25 179.49 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.38 154.86 64.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' CB ' ' A' ' 73' ' ' ALA . 18.2 Cg_endo -74.99 -28.48 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 1.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -47.65 81.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 1.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -72.24 -45.02 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 1.0 109.608 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -54.29 -51.75 63.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.82 -50.18 71.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 1.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.08 -43.26 51.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.78 -50.78 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.612 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 10.8 t -52.45 -39.27 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.91 -54.77 37.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.207 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -39.19 72.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 1.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.25 -50.23 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -56.46 -55.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.182 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.56 43.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.5 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . . . -60.16 -26.63 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 tp -71.56 -53.35 14.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 1.0 109.288 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.6 -35.41 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 1.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.8 67.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.91 47.24 6.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 1.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' OD1' ' CB ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -108.07 87.36 2.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.747 . . . . 1.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 8.5 mt -63.39 -52.82 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -46.88 -47.0 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.65 -60.81 6.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.597 1.186 . . . . 1.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.597 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 2.1 mt -42.36 -39.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 1.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.579 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 74.7 t -66.06 -49.0 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.52 -12.61 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.88 -44.43 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.617 ' CD2' ' CE ' ' A' ' 112' ' ' MET . 2.6 p90 -115.83 -176.08 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 109' ' ' VAL . . . -48.55 172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 1.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 -11.0 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 1.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -121.15 9.57 10.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.5 162.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -117.56 115.58 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 1.0 110.422 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.546 HG13 ' CE2' ' A' ' 54' ' ' PHE . 3.5 t -109.2 139.78 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 109.195 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -137.9 112.16 8.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.688 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 2.6 t0 -155.22 140.01 11.96 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.688 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.07 -80.88 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.955 -2.519 . . . . 1.0 110.95 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.473 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -155.78 151.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 1.0 109.246 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.601 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 160.37 -60.94 0.3 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.6 m 151.19 68.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 1.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.93 80.92 0.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 176.6 9.71 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 1.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . 4.6 mtp180 -142.82 106.96 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.41 129.48 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 50' ' ' ALA . . . 112.62 122.86 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.459 1.1 . . . . 1.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.29 -28.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 1.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -63.4 -52.97 59.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 45' ' ' ARG . . . -69.17 -36.5 77.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 30' ' ' PHE . 36.3 mt -57.83 -49.81 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' CG ' HG22 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -62.68 -47.86 81.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 1.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -43.86 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 1.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -69.27 -68.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.0 110.956 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.466 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 8.4 m-85 -44.19 -26.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.07 -57.62 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -56.57 -18.92 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t -80.13 -62.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.83 -17.68 17.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 1.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -23.99 2.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 1.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 tp -87.83 122.44 70.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -155.37 -178.85 7.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.506 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . -121.26 147.23 45.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.9 t -124.62 139.44 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -156.95 149.84 23.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.438 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 2.5 mt -85.07 178.49 7.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.489 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER 174.16 -33.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 1.5 tm0? -74.59 -78.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.54 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER 161.81 -173.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 1.0 110.254 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.489 ' O ' ' CZ ' ' A' ' 72' ' ' ARG . 57.6 t -127.72 148.53 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.512 ' CZ ' ' ND2' ' B' ' 120' ' ' ASN . 1.4 tpp180 -125.13 87.13 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 110.274 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -85.8 127.2 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.469 ' CG2' ' HA2' ' B' ' 117' ' ' GLY . 0.3 OUTLIER 179.92 158.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.447 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . 51.17 54.85 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ALA . 40.8 m-20 39.64 30.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 3.1 mt-10 -141.86 128.86 20.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -100.17 106.64 18.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.513 ' HB1' ' CE1' ' A' ' 100' ' ' HIS . . . -110.77 100.46 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.637 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 19.0 p90 -118.15 159.67 22.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 1.0 110.977 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.593 ' CB ' ' CG1' ' A' ' 98' ' ' ILE . . . -123.47 138.26 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 3.0 p90 -140.81 -176.26 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.489 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -120.58 164.28 16.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.0 110.453 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.485 HG11 ' CD ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -145.89 123.22 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.61 112.65 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 95' ' ' VAL . 4.4 p90 -142.44 137.6 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 1.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -116.23 130.12 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 1.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 90' ' ' GLY . 3.4 t80 -105.93 167.47 9.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 1.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 172.89 -32.4 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 1.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.47 -179.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 1.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 125' ' ' ALA . 17.9 tttt -90.49 159.6 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.534 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 13.0 m -157.52 144.03 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 1.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 1.4 p -126.65 113.85 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.573 HG22 ' CE1' ' A' ' 86' ' ' PHE . 97.7 t -97.34 158.27 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 1.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -129.35 75.73 79.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.58 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.01 169.45 22.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.593 ' CG1' ' CB ' ' A' ' 81' ' ' ALA . 2.2 mt -136.34 141.98 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -118.46 131.37 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -120.6 82.86 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 1.0 109.644 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -68.41 147.02 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 1.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.37 102.71 8.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.321 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.733 ' CZ ' ' CG2' ' A' ' 109' ' ' VAL . 1.3 m-85 -91.26 124.68 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 1.5 m120 152.06 -92.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 109.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 30.47 -145.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.118 . . . . 1.0 111.001 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.47 -30.42 29.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 1.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . 163.28 93.84 0.1 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 1.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 8.9 mttt 92.66 -172.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 0.764 . . . . 1.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.733 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 21.5 t -40.83 116.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 1.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.536 ' O ' ' CG1' ' A' ' 110' ' ' VAL . 29.9 t -136.38 13.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.01 160.74 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 110.026 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.617 ' CE ' ' CD2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -166.67 124.82 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -112.21 120.92 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 1.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -99.56 162.25 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.17 121.07 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 117' ' ' GLY . 0.5 OUTLIER -160.17 173.52 15.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.068 . . . . 1.0 111.044 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.566 ' N ' ' CD1' ' A' ' 116' ' ' PHE . . . 80.75 177.84 51.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 1.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 119' ' ' LYS . 3.2 mt-10 61.79 63.1 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.603 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 96.59 -23.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.429 ' HB2' ' N ' ' A' ' 117' ' ' GLY . 0.2 OUTLIER -69.42 -9.33 53.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.476 ' CD1' ' HA2' ' A' ' 117' ' ' GLY . 0.9 OUTLIER -98.73 139.45 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 123' ' ' ALA . 88.0 m-70 -135.17 92.98 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 1.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 122' ' ' HIS . . . -49.14 176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' ALA . . . 168.88 172.78 36.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 1.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.534 0.207 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.62 113.66 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -126.59 155.53 74.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -21.51 15.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 41.0 tp10 -68.18 -47.72 67.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' B' ' 105' ' ' GLY . 4.6 t-160 -75.0 -42.53 57.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 1.0 109.632 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.43 ' HA ' ' CZ ' ' B' ' 103' ' ' PHE . 0.1 OUTLIER -61.24 -56.55 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -62.4 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 1.0 110.475 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -54.11 -41.24 68.1 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.417 1.073 . . . . 1.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.17 -51.81 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' B' ' 80' ' ' PHE . 2.5 t -51.56 -43.15 31.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -62.59 -46.35 88.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -40.31 85.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.26 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.4 ' CE2' ' HZ ' ' B' ' 101' ' ' PHE . 76.3 t80 -63.37 -45.38 91.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.87 -52.49 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.35 -37.98 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.483 ' O ' ' CD2' ' B' ' 59' ' ' LEU . 16.2 tp -64.65 -51.6 61.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 1.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.36 -49.66 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.44 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.79 47.59 19.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 1.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -96.67 106.92 19.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 1.0 109.228 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' B' ' 52' ' ' ARG . 0.1 OUTLIER -73.64 -58.51 3.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.0 -32.33 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 1.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -72.27 -70.15 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.605 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 7.7 mt -45.02 -36.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.766 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.612 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 14.8 t -71.02 -41.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 1.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.59 -10.55 59.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -63.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.612 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 43.1 p90 -90.04 -176.14 4.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.437 ' O ' ' CD1' ' B' ' 30' ' ' PHE . . . -56.53 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' B' ' 48' ' ' THR . 0.3 OUTLIER -110.23 -14.42 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.401 1.063 . . . . 1.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -115.58 4.49 14.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -51.5 175.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.459 HG23 ' CB ' ' B' ' 46' ' ' SER . 71.7 p -131.79 137.28 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 1.0 110.378 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.54 HG13 ' CE2' ' B' ' 54' ' ' PHE . 21.2 t -110.89 147.56 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 1.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 3.1 mt-10 -140.52 94.54 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.494 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 5.3 m-20 -141.88 131.01 12.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.494 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.04 -68.83 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.994 -2.502 . . . . 1.0 110.962 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.432 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.4 OUTLIER -150.48 143.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 1.0 109.349 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.8 26.09 2.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 1.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.484 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 22.8 t -106.37 50.28 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 1.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.402 ' HB3' ' NH2' ' B' ' 45' ' ' ARG . 1.0 OUTLIER 53.15 92.82 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 110.276 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.464 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -74.96 143.84 29.69 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.402 ' NH2' ' HB3' ' B' ' 43' ' ' GLU . 6.9 mmp_? -97.03 155.15 16.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.459 ' CB ' HG23 ' B' ' 35' ' ' THR . 51.5 p -138.84 104.26 5.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 1.0 110.053 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.51 141.35 4.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -58.91 -15.52 13.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 1.0 110.38 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.73 -66.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.91 -26.3 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.587 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 10.8 mt -72.19 -42.18 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 1.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' B' ' 23' ' ' LEU . 0.0 OUTLIER -64.06 -46.24 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.83 -38.26 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' B' ' 36' ' ' VAL . 4.5 t80 -66.24 -49.78 66.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.514 ' CE2' HG21 ' B' ' 51' ' ' ILE . 3.9 m-85 -59.33 -59.37 5.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.427 ' CB ' HD13 ' B' ' 23' ' ' LEU . . . -51.0 -52.21 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' B' ' 60' ' ' LYS . 25.9 t-20 -54.05 -37.2 63.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -65.44 -59.76 3.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.949 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' B' ' 18' ' ' LEU . 1.2 mt -57.09 -18.69 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 3.6 ttpp -44.77 -26.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.414 ' N ' ' C ' ' B' ' 59' ' ' LEU . 11.3 tp -87.3 127.78 57.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 1.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 60.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 1.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -107.35 -176.68 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.22 159.22 42.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' B' ' 82' ' ' PHE . 53.8 t -133.2 147.04 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.41 ' N ' HG11 ' B' ' 65' ' ' VAL . 1.2 tt0 -157.9 130.95 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.1 131.71 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.432 HG23 ' CG2' ' B' ' 83' ' ' THR . 2.8 t -142.76 14.95 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.457 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -140.15 -172.3 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.49 171.82 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 58.3 t -127.24 109.04 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.534 ' HB2' ' CB ' ' B' ' 79' ' ' ALA . 9.9 mtm180 -69.43 59.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' B' ' 77' ' ' GLU . . . -83.14 91.05 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 1.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.463 HG21 ' CG ' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -160.6 152.97 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.456 ' CB ' ' HB ' ' A' ' 40' ' ' VAL . . . 55.0 58.81 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 1.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 76' ' ' ASN . 0.3 OUTLIER 44.33 25.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 1.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' B' ' 73' ' ' ALA . 1.5 tt0 -122.84 159.16 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.85 87.72 1.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.534 ' CB ' ' HB2' ' B' ' 72' ' ' ARG . . . -105.38 85.85 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.669 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 42.4 p90 -105.02 157.87 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.457 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -109.04 136.58 48.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' B' ' 97' ' ' PRO . 45.8 p90 -142.11 165.32 27.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.432 ' CG2' HG23 ' B' ' 68' ' ' THR . 0.1 OUTLIER -104.76 156.56 17.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 110.431 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.468 HG11 ' CD ' ' B' ' 97' ' ' PRO . 0.6 OUTLIER -134.43 125.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.246 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.9 m -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' B' ' 95' ' ' VAL . 0.5 OUTLIER -161.49 146.97 13.76 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 1.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.54 133.84 55.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -104.78 171.39 7.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 1.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -63.81 71.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 1.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 173.45 -32.41 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 166.19 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 1.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -80.05 156.21 27.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 27.0 m -157.13 149.15 22.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.406 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -129.47 119.14 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' B' ' 116' ' ' PHE . 40.8 t -99.48 166.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.455 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -140.15 70.66 34.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.568 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 166.69 28.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.787 . . . . 1.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.502 ' CG2' ' NH2' ' B' ' 72' ' ' ARG . 17.2 mt -116.12 115.55 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.669 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.5 m-20 -85.38 119.18 25.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -119.43 109.35 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.617 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 101' ' ' PHE . 6.2 m-30 -116.05 132.22 56.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 1.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -110.98 103.92 12.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.489 ' HB3' ' CG2' ' B' ' 109' ' ' VAL . 2.6 p90 -144.72 160.11 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 1.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -86.74 138.45 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.272 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 107' ' ' GLY . . . -38.3 -49.28 2.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 1.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -39.28 -29.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 1.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' B' ' 105' ' ' GLY . . . 109.98 48.86 0.75 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 1.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -124.09 110.11 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 1.0 109.235 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' B' ' 103' ' ' PHE . 2.6 t -112.81 117.04 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.518 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 95.7 t -122.12 -5.07 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -134.14 137.67 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 1.0 109.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.587 ' CE ' ' CD1' ' B' ' 30' ' ' PHE . 1.6 mtt -151.16 136.03 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -146.67 170.36 17.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.32 97.11 2.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.466 ' CD1' ' NE2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -72.98 97.03 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 1.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' B' ' 95' ' ' VAL . 0.9 OUTLIER -116.63 114.37 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' B' ' 116' ' ' PHE . . . -99.32 173.26 26.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' B' ' 118' ' ' GLU . 7.0 tt0 -97.63 23.13 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 1.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . 0.412 ' C ' ' NH1' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -123.33 15.78 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.512 ' ND2' ' CZ ' ' A' ' 72' ' ' ARG . 3.3 t-20 -130.5 43.08 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.402 HG21 ' N ' ' B' ' 122' ' ' HIS . 4.5 mt -129.49 140.66 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . 0.402 ' N ' HG21 ' B' ' 121' ' ' ILE . 5.5 m-70 -135.34 111.68 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.72 168.03 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.1 173.31 38.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 1.0 109.318 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 1.4 ttt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.533 0.206 . . . . 1.0 111.073 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -86.35 178.13 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.3 p -100.17 155.57 36.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 110.308 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -36.26 2.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 1.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.65 -44.42 96.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.442 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 8.1 t60 -68.83 -47.75 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 1.0 109.591 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -54.33 -53.8 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -57.5 -47.32 82.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.435 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 6' ' ' HIS . 93.5 t -64.39 -42.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.581 HG12 ' CD1' ' A' ' 80' ' ' PHE . 8.0 t -57.94 -54.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.263 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -52.47 -44.89 65.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 1.0 110.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.12 98.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.68 -44.6 93.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.05 -62.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.49 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 1.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.31 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 1.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.93 -55.63 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -19.32 63.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.5 -15.48 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.89 39.31 97.35 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.56 1.163 . . . . 1.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 10.1 m-20 -95.22 90.57 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 1.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 15.2 mt -68.97 -43.58 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.29 -52.87 63.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.67 -61.54 6.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.585 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 36.3 mt -44.77 -36.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 4.8 t -68.92 -43.14 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -69.65 -14.41 62.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 1.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.64 -67.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 1.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 24.1 p90 -87.38 -175.6 5.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 1.183 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' PHE . . . -52.17 -176.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.475 ' O ' ' CG2' ' A' ' 48' ' ' THR . 0.0 OUTLIER -106.42 -19.62 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 p30 -121.35 22.34 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -60.74 168.08 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.6 p -119.35 110.23 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 1.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' A' ' 51' ' ' ILE . 48.9 t -89.68 139.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -137.92 66.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 1.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.638 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -136.79 131.92 18.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 1.0 109.343 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.638 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.98 -83.21 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.019 -2.492 . . . . 1.0 111.028 -0.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.475 HG13 ' CB ' ' B' ' 75' ' ' ALA . 0.1 OUTLIER -153.36 -173.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 1.0 109.377 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.47 29.92 1.99 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.2 p 47.68 54.31 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 1.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -144.15 62.91 10.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 1.0 110.236 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.98 161.72 38.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 1.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -142.54 134.1 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -117.42 142.42 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.037 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.52 141.29 10.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 1.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 4.1 p -58.25 -16.31 13.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 1.0 110.409 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.87 -67.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 1.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 45' ' ' ARG . . . -61.63 -25.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.552 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 3.7 mt -69.57 -68.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -55.67 -32.63 63.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.68 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 38' ' ' ASP . 5.2 t80 -56.07 -53.6 55.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -48.7 -40.8 29.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 1.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.69 31.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -46.59 -40.49 12.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 1.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -52.18 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.452 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -54.67 -19.68 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -41.02 -29.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 109.355 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.452 ' N ' ' C ' ' A' ' 59' ' ' LEU . 10.0 tp -92.09 112.43 54.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 1.0 109.368 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 53.65 3.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 1.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -90.06 -177.12 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.353 1.033 . . . . 1.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.522 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . -119.82 146.75 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.5 t -131.8 139.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -153.92 158.7 41.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.28 158.22 21.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 1.0 109.243 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 15.2 t -174.95 34.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.552 1.158 . . . . 1.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 1.3 tm0? -149.7 -75.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.537 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.5 OUTLIER 162.41 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 1.0 110.305 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.495 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 87.4 t -134.67 135.25 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.552 ' CZ ' ' ND2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -113.22 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 7' ' ' MET . . . -89.58 109.16 20.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -163.25 161.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 1.0 109.365 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' CB ' HG13 ' B' ' 40' ' ' VAL . . . 57.49 50.56 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.2 OUTLIER 42.63 28.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 6.9 pt-20 -145.11 142.35 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 11' ' ' VAL . . . -104.63 122.26 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' CB ' HD23 ' B' ' 115' ' ' LEU . . . -127.92 103.23 7.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.657 ' CE1' ' CB ' ' A' ' 99' ' ' ASP . 29.8 p90 -122.36 173.44 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.535 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -133.65 137.84 45.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 6.4 p90 -144.17 -179.07 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 1.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.96 167.77 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 1.0 110.413 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.475 HG11 ' CD ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -146.55 123.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.73 125.15 45.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 1.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.535 ' CE2' ' HB ' ' A' ' 93' ' ' THR . 2.8 p90 -146.93 123.6 11.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -81.53 119.15 23.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -96.58 -173.91 2.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 1.0 110.989 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.46 92.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 1.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 51.01 53.57 26.38 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.525 1.14 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 90' ' ' GLY . 4.3 mtp85 -168.09 169.1 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.552 0.795 . . . . 1.0 110.27 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 124' ' ' GLY . 0.8 OUTLIER -129.32 116.86 19.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 1.0 109.32 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.535 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 38.8 m -118.5 142.44 47.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 110.362 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -126.4 117.84 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.437 HG22 ' CE1' ' A' ' 86' ' ' PHE . 90.7 t -100.42 163.63 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 1.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -133.26 76.84 67.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.475 ' CD ' HG11 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.07 156.88 42.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.435 1.755 . . . . 1.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.549 ' CG2' ' NH2' ' B' ' 72' ' ' ARG . 6.5 mt -119.66 120.97 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.657 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -95.09 139.97 30.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 1.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.544 ' C ' ' CD2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -156.25 106.54 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 78' ' ' ALA . 1.1 p90 -134.48 154.07 51.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.443 ' HG2' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -118.01 139.89 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 7' ' ' MET . 3.6 p90 -149.35 164.07 35.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 1.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.581 ' O ' ' C ' ' A' ' 105' ' ' GLY . 2.8 t-20 -124.08 89.37 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 109.22 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 20.39 -109.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 1.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 107' ' ' GLY . . . -44.83 -62.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 0.75 . . . . 1.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -36.31 -41.69 0.53 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.507 1.13 . . . . 1.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER 87.47 -174.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.474 HG21 ' CB ' ' A' ' 103' ' ' PHE . 2.0 t -86.52 123.02 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.492 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 57.4 t -118.52 -0.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.98 127.37 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.569 ' CE ' ' CG ' ' A' ' 30' ' ' PHE . 1.6 mtt -143.2 138.66 29.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 2.1 ptm180 -144.39 140.63 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . . . -139.92 136.22 33.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.49 ' CB ' ' HD3' ' B' ' 72' ' ' ARG . 6.2 mp -120.59 133.88 55.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -147.77 177.97 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.484 ' HA2' ' CD1' ' A' ' 121' ' ' ILE . . . 68.63 -177.61 26.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 119' ' ' LYS . 0.3 OUTLIER 65.55 64.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 1.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 89.48 -17.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 1.0 109.266 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.413 ' HB2' ' N ' ' A' ' 117' ' ' GLY . 2.7 m-80 -73.85 -11.99 60.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.484 ' CD1' ' HA2' ' A' ' 117' ' ' GLY . 0.7 OUTLIER -94.82 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -134.44 89.98 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 1.0 109.564 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.64 159.44 21.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . 179.71 179.22 48.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.498 0.763 . . . . 1.0 109.211 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.54 0.21 . . . . 1.0 111.075 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' B' ' 76' ' ' ASN . 22.7 m-20 -139.19 60.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.4 p -96.25 155.36 38.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 1.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.89 3.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -66.03 -41.74 90.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 110.185 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -71.59 -44.38 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 109.575 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtm -59.37 -58.97 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -58.37 -49.82 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -52.73 -45.02 66.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.86 -47.14 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.535 HG23 ' CE1' ' B' ' 80' ' ' PHE . 18.9 t -55.63 -38.9 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -62.92 -60.34 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ttp-105 -52.52 -34.16 48.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -67.86 -56.37 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.71 -46.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 1.0 109.279 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.97 -60.32 3.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.29 -28.38 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 1.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 14.4 tp -71.58 -57.94 3.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 1.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.86 -17.22 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 1.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.72 -29.38 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.55 55.3 4.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 1.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' B' ' 22' ' ' ASP . 0.9 OUTLIER -112.65 66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 0.763 . . . . 1.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 10.6 mt -43.85 -38.17 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -60.24 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.189 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.12 -59.63 10.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' B' ' 18' ' ' LEU . 48.9 mt -42.14 -37.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.452 0.736 . . . . 1.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.567 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.0 t -68.62 -49.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -62.03 -14.59 37.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 1.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -54.01 51.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 24.7 p90 -102.11 -178.82 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.95 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.478 ' O ' ' CG2' ' B' ' 48' ' ' THR . 3.4 t70 -103.03 -17.68 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 1.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.92 21.31 11.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.93 -178.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 1.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.5 p -134.38 117.49 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 1.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' B' ' 51' ' ' ILE . 98.4 t -93.11 145.28 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 1.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.47 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 4.1 mp0 -128.07 65.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.596 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 0.2 OUTLIER -110.17 138.86 20.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 1.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' B' ' 114' ' ' ALA . 18.5 Cg_endo -74.99 -38.81 1.64 Allowed 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.996 -2.501 . . . . 1.0 111.019 -0.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.484 HG23 ' CG1' ' A' ' 74' ' ' VAL . 2.2 t -128.36 -174.77 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.39 -18.11 9.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.447 1.092 . . . . 1.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 7.2 t -82.19 50.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.4 mt-10 160.51 70.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.444 ' O ' ' NE ' ' B' ' 45' ' ' ARG . 18.6 Cg_endo -75.05 154.64 42.41 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.472 1.774 . . . . 1.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.57 ' HD3' ' CD1' ' B' ' 54' ' ' PHE . 0.0 OUTLIER -151.86 96.57 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.9 p -96.6 139.4 32.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 1.0 110.036 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.7 146.58 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 1.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 1.9 p -60.13 -14.61 17.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 1.0 110.401 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.71 -66.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.25 73.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.554 HG22 ' CE1' ' B' ' 30' ' ' PHE . 25.1 mt -63.94 -66.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -56.85 -30.55 63.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 1.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.0 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 1.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 1.8 t80 -60.39 -54.68 42.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 1.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.463 ' OH ' ' CE ' ' B' ' 112' ' ' MET . 0.2 OUTLIER -46.83 -39.66 12.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 1.0 110.982 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -50.57 57.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.29 -19.02 53.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -81.43 -69.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' B' ' 18' ' ' LEU . 0.6 OUTLIER -56.03 -18.88 10.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 1.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.42 ' N ' ' C ' ' B' ' 59' ' ' LEU . 10.8 tp -91.44 135.74 27.66 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 1.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.06 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 1.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.6 178.32 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 1.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.83 104.4 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.519 HG12 ' CE2' ' B' ' 82' ' ' PHE . 4.1 t -84.29 142.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 1.0 109.197 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -159.98 138.08 10.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 1.0 110.339 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -75.11 141.11 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.464 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 2.2 t -155.99 23.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.484 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 6.5 mt-30 -134.39 -78.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.47 170.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 89.3 t -119.1 136.53 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.549 ' NH2' ' CG2' ' A' ' 98' ' ' ILE . 6.8 ttm180 -111.2 92.52 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.512 ' O ' ' CG2' ' B' ' 74' ' ' VAL . . . -93.74 127.82 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 109.374 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' B' ' 73' ' ' ALA . 2.1 t -170.54 146.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.303 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.475 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . 49.05 67.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' B' ' 76' ' ' ASN . 3.2 p-10 38.78 30.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 2.4 tt0 -125.6 160.23 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -148.52 100.64 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.561 ' HB1' ' CE1' ' B' ' 100' ' ' HIS . . . -113.8 101.74 9.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.611 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 49.7 p90 -112.9 162.27 16.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 1.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.471 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -117.24 130.95 56.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.519 ' CE2' HG12 ' B' ' 65' ' ' VAL . 46.8 p90 -138.53 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 1.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.464 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -106.18 164.52 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 1.0 110.44 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -140.09 116.83 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -91.04 124.91 35.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 110.077 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.1 OUTLIER -167.69 146.01 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 111.021 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -112.09 132.25 54.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.514 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -102.61 171.14 7.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 110.966 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -63.73 70.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 173.52 -32.85 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.425 1.078 . . . . 1.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 166.82 -179.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 0.818 . . . . 1.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.402 ' C ' ' OG1' ' B' ' 93' ' ' THR . 0.0 OUTLIER -76.38 156.76 32.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 1.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.543 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 14.2 m -157.26 151.41 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 1.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -136.22 122.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 1.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.475 ' CG2' HG13 ' B' ' 121' ' ' ILE . 31.5 t -102.95 165.82 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 1.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -137.19 68.47 55.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.535 ' HB3' ' CG ' ' B' ' 116' ' ' PHE . 18.4 Cg_endo -74.97 169.66 22.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 37.8 mt -121.42 122.9 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -96.24 143.01 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.6 OUTLIER -132.77 128.3 36.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.604 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.518 ' CD2' HG21 ' B' ' 11' ' ' VAL . 20.6 m-85 -117.38 144.79 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 1.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.419 ' CG ' ' HG3' ' B' ' 77' ' ' GLU . 5.8 mtp180 -127.9 116.08 19.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' B' ' 109' ' ' VAL . 23.0 m-85 -100.83 158.89 15.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 1.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' B' ' 103' ' ' PHE . 2.3 m-20 157.24 -179.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.09 94.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 1.0 111.053 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' B' ' 107' ' ' GLY . . . 67.89 38.88 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 1.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' B' ' 106' ' ' ALA . . . 37.62 46.76 1.61 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 1.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.37 154.72 46.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 0.742 . . . . 1.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' B' ' 103' ' ' PHE . 39.3 t -81.35 116.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 1.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 64.5 t -117.49 -7.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 1.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.1 134.88 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.463 ' CE ' ' OH ' ' B' ' 55' ' ' TYR . 5.3 ttp -146.77 142.4 27.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 1.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.47 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 2.8 mtt180 -155.1 162.92 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' B' ' 39' ' ' PRO . . . -136.09 179.88 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -152.92 99.28 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.364 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.535 ' CG ' ' HB3' ' B' ' 97' ' ' PRO . 6.3 m-85 -106.68 130.03 54.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -110.27 177.19 19.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 1.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -105.81 -14.56 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 1.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -99.47 17.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.552 ' ND2' ' CZ ' ' A' ' 72' ' ' ARG . 2.2 t-20 -123.35 39.14 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.7 mp -130.29 153.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -142.46 111.82 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.53 164.7 17.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 1.0 109.389 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.39 42.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 1.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 1.0 109.318 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.478 0.18 . . . . 1.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -169.61 106.69 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 1.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -124.12 155.52 67.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 1.0 110.336 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -32.0 5.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 1.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.24 -53.55 42.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.199 . . . . 1.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -65.27 -41.41 94.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.3 mtm -57.95 -57.98 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -54.92 -42.11 71.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.89 95.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -65.9 -30.14 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.423 ' N ' HG11 ' A' ' 10' ' ' VAL . 98.9 t -67.4 -44.63 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -46.51 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.78 90.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.0 110.252 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -60.7 -54.07 49.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 1.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.16 -56.38 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.61 -47.25 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.69 96.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 1.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.07 -53.88 53.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -60.99 -27.85 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -15.23 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 69.52 27.88 72.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 1.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.472 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 13.6 t0 -84.21 85.55 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -62.96 -37.02 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -61.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -43.18 26.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.599 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 52.2 mt -65.93 -44.63 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.606 0.827 . . . . 1.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 15.6 t -63.78 -20.35 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.44 -24.9 18.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -42.07 67.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 1.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 3.7 p90 -114.57 178.23 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 1.0 111.062 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' CB ' HG23 ' A' ' 110' ' ' VAL . . . -45.48 169.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 1.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.474 ' O ' ' CG2' ' A' ' 48' ' ' THR . 1.4 m-20 -96.16 -17.11 21.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -120.17 32.22 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -80.51 175.67 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.455 HG21 ' CB ' ' A' ' 46' ' ' SER . 9.6 p -130.92 136.5 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 1.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 51' ' ' ILE . 13.6 t -113.2 141.98 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -127.3 94.49 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.518 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -141.26 121.72 8.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 1.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.518 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -75.04 -80.01 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.948 -2.522 . . . . 1.0 110.998 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.524 ' CG1' ' CB ' ' B' ' 75' ' ' ALA . 0.2 OUTLIER -152.49 151.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . -168.61 -73.5 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.7 p 156.64 51.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 0.75 . . . . 1.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 42' ' ' SER . 0.1 OUTLIER 164.62 88.16 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 1.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.0 148.76 35.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 1.0 111.053 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.566 ' HD2' ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -74.03 113.44 11.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 110.343 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.455 ' CB ' HG21 ' A' ' 35' ' ' THR . 78.3 p -99.4 141.92 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 1.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 123.85 5.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.437 1.085 . . . . 1.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 7.7 p -41.37 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 1.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -55.62 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 45' ' ' ARG . . . -63.85 -49.03 74.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 36' ' ' VAL . 8.8 mt -51.22 -52.4 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 1.9 tmm_? -63.66 -34.98 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 1.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -50.17 69.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 1.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HD2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -69.59 -61.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 111.029 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.468 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 11.2 m-85 -49.66 -22.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -80.85 -67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -50.65 -22.95 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 1.0 109.252 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m -80.0 -56.61 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 1.5 mt -55.99 -19.78 13.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -52.21 -22.01 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.6 139.86 21.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 1.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -94.38 132.59 38.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 1.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.432 ' N ' HD21 ' A' ' 63' ' ' LEU . . . -109.06 103.85 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 63' ' ' LEU . 2.2 t -94.0 147.13 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' N ' HG11 ' A' ' 65' ' ' VAL . 12.1 pt-20 -164.74 137.63 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 80' ' ' PHE . 1.6 mt -67.57 156.33 37.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 1.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.501 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.2 t 179.68 51.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -156.19 -85.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 1.0 110.327 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.446 ' CD ' ' NH1' ' A' ' 72' ' ' ARG . 3.2 pt-20 -171.1 168.03 6.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.491 1.12 . . . . 1.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.548 ' CG1' ' O ' ' A' ' 79' ' ' ALA . 98.1 t -131.31 122.13 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' NH1' ' CD ' ' A' ' 70' ' ' GLU . 8.6 mpt_? -99.06 103.0 14.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -101.96 120.57 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.477 ' CG1' HG22 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -178.71 156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . 54.84 55.95 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER 39.05 30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.353 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' ALA . 4.9 mt-10 -138.7 123.91 19.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 1.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -106.81 130.42 54.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -124.25 165.97 16.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 1.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 11.6 p90 -174.52 150.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 67' ' ' LEU . . . -107.16 119.52 39.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.186 . . . . 1.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.433 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 49.2 p90 -122.73 165.85 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -105.99 159.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -134.67 115.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.61 112.27 24.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 1.0 110.035 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -152.95 149.45 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -117.49 134.9 54.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 1.0 110.238 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -111.97 172.37 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 1.0 111.034 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -63.71 73.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 171.56 -31.65 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 1.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER 162.37 179.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 1.0 110.295 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.401 ' C ' ' OG1' ' A' ' 93' ' ' THR . 0.7 OUTLIER -82.2 157.82 23.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.465 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 10.1 m -156.94 144.84 19.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -127.81 114.86 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 116' ' ' PHE . 16.3 t -97.22 167.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -139.84 66.52 33.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.486 ' CD ' HG11 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.07 163.82 34.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.547 1.814 . . . . 1.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 100' ' ' HIS . 15.9 mt -112.04 148.67 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 4.8 m-20 -128.02 141.45 51.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -150.94 133.09 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.472 ' HB3' ' CB ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -140.1 156.88 46.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 59.2 ttt180 -108.58 159.66 16.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 1.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 13.2 m-85 -125.75 152.04 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 105' ' ' GLY . 3.3 t-20 -118.69 179.0 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 106' ' ' ALA . . . -35.98 129.26 0.88 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 1.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 105' ' ' GLY . . . 83.17 16.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 1.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 51.62 57.58 11.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 1.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -115.21 122.34 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 1.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 23.7 t -75.55 120.94 26.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.482 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 74.1 t -118.82 -4.18 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 1.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.01 139.63 21.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 1.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 101' ' ' PHE . 24.0 ptp -154.16 151.09 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -142.82 172.44 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . . . -147.07 107.32 4.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 100' ' ' HIS . 0.6 OUTLIER -81.37 91.15 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -109.14 88.86 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 1.0 110.942 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.29 -170.87 37.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.9 44.48 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 1.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.404 ' C ' ' OD1' ' A' ' 120' ' ' ASN . 4.6 ptmt -141.57 15.07 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.493 ' HB2' ' CZ ' ' B' ' 72' ' ' ARG . 0.9 OUTLIER -131.61 40.91 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.465 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 2.2 mt -119.66 140.2 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 1.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -134.65 98.89 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 1.0 109.607 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.49 175.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 1.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.55 173.69 37.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 1.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 109.315 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.19 . . . . 1.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 175.42 124.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 1.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.553 HG22 ' CD2' ' B' ' 6' ' ' HIS . 0.7 OUTLIER -139.29 150.38 64.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 1.0 110.395 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' OG1' ' B' ' 3' ' ' THR . 18.1 Cg_endo -75.07 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -46.55 86.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 1.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.553 ' CD2' HG22 ' B' ' 3' ' ' THR . 11.8 m170 -70.19 -48.65 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 1.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.418 ' CE ' ' HB2' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -50.9 -49.26 59.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -63.01 -51.34 67.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.82 -40.03 59.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 1.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.35 -40.17 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 1.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' B' ' 80' ' ' PHE . 3.4 t -59.49 -46.69 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -55.67 31.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -55.94 -39.91 72.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.432 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 39.2 t80 -64.03 -45.44 88.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.675 ' CG2' ' CE2' ' B' ' 82' ' ' PHE . 60.7 t -63.23 -66.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.41 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.268 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.74 78.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.454 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 45.3 tp -53.31 -54.15 40.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -60.58 -30.76 70.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 1.0 109.219 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.79 -16.68 61.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 1.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 74.43 29.27 62.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.61 1.194 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.497 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 15.5 t0 -88.24 82.24 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 1.1 mt -61.78 -51.39 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 1.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.41 ' HA ' ' NH1' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -59.31 -62.04 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.72 -42.55 21.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 1.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 38.2 mt -63.65 -41.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 0.702 . . . . 1.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.563 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 79.6 t -65.09 -26.11 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.76 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -55.89 -44.2 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.4 p90 -113.28 -175.21 2.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 1.0 110.968 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -44.15 166.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.484 ' O ' ' CG2' ' B' ' 48' ' ' THR . 44.0 m-20 -89.33 -19.39 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 1.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -121.91 15.32 10.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' B' ' 110' ' ' VAL . . . -42.43 163.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.2 p -125.97 109.7 12.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' B' ' 51' ' ' ILE . 18.5 t -88.0 157.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 3.0 mt-10 -154.26 76.3 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.45 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -138.63 152.64 71.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.617 1.198 . . . . 1.0 109.299 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.475 ' C ' ' CG2' ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.047 -2.481 . . . . 1.0 110.983 0.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.477 HG22 ' CG1' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -164.2 -176.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.91 28.65 30.95 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.497 1.123 . . . . 1.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 99.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 0.721 . . . . 1.0 109.984 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.416 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 0.6 OUTLIER -161.18 63.57 1.76 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -75.03 153.65 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.779 . . . . 1.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' B' ' 54' ' ' PHE . 3.0 ptt180 -154.25 98.93 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -95.57 134.01 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 142.36 11.33 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.521 1.138 . . . . 1.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 40.1 p -56.47 -17.28 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -69.7 -57.69 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.444 ' HB3' ' CB ' ' B' ' 45' ' ' ARG . . . -66.43 -38.11 86.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.536 HG21 ' CD1' ' B' ' 55' ' ' TYR . 59.1 mt -63.18 -65.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' B' ' 24' ' ' ASP . 0.5 OUTLIER -53.97 -38.17 64.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 1.0 110.339 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 3.8 mm-40 -55.29 -56.12 23.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 1.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.634 ' CG ' ' CZ ' ' B' ' 45' ' ' ARG . 7.6 t80 -67.25 -60.05 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.536 ' CD1' HG21 ' B' ' 51' ' ' ILE . 9.7 m-85 -44.16 -30.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.38 -52.41 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -53.15 -29.7 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 -55.22 5.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.443 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.4 OUTLIER -55.15 -19.4 7.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 1.0 109.359 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.74 -28.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' B' ' 88' ' ' TYR . 12.2 tp -105.4 138.83 19.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.427 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.99 54.73 3.73 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.6 1.842 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -79.1 -176.53 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.03 156.38 44.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.458 1.099 . . . . 1.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -141.6 140.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -161.35 137.86 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.772 ' CD1' ' CZ ' ' B' ' 82' ' ' PHE . 0.8 OUTLIER -71.2 167.62 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.595 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.4 OUTLIER -165.45 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 1.0 110.365 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' B' ' 70' ' ' GLU . 3.9 mp0 -77.24 -84.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.453 ' CD ' ' ND2' ' A' ' 120' ' ' ASN . 0.1 OUTLIER 176.48 -177.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 110.296 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.575 HG12 ' CD1' ' B' ' 80' ' ' PHE . 21.8 t -129.03 123.93 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 120' ' ' ASN . 3.7 mmt180 -102.24 95.47 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -95.38 121.1 36.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 0.4 OUTLIER -177.33 167.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.524 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . 51.51 45.77 27.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.32 37.96 12.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.604 ' OE1' ' CD2' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -147.52 169.53 19.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.499 ' O ' ' CE1' ' B' ' 80' ' ' PHE . . . -141.79 105.7 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.45 103.95 13.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.651 ' CE2' ' CB ' ' B' ' 99' ' ' ASP . 0.1 OUTLIER -116.54 163.56 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.494 ' HB3' ' CG1' ' B' ' 98' ' ' ILE . . . -118.54 108.95 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 1.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.772 ' CZ ' ' CD1' ' B' ' 67' ' ' LEU . 18.3 m-85 -107.88 168.68 9.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.595 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -120.67 121.76 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 1.0 110.361 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.694 ' CG2' ' CE1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -99.35 167.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' B' ' 93' ' ' THR . 2.4 t -152.03 110.94 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.694 ' CE1' ' CG2' ' B' ' 84' ' ' VAL . 7.3 m-30 -101.35 172.86 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.107 . . . . 1.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 22.2 tt0 -153.76 148.51 26.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.494 ' CD2' HD12 ' B' ' 61' ' ' LEU . 0.1 OUTLIER 175.02 134.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.99 48.31 21.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.414 1.071 . . . . 1.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.96 11.44 31.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 1.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' B' ' 88' ' ' TYR . 0.5 OUTLIER -95.91 145.56 25.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -131.42 121.89 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' B' ' 123' ' ' ALA . 1.2 m -124.02 155.45 38.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 1.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.3 OUTLIER -141.04 126.5 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 1.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.488 ' CG2' HG12 ' B' ' 121' ' ' ILE . 13.4 t -113.22 170.12 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.66 63.66 21.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.505 ' HG3' ' CE2' ' B' ' 116' ' ' PHE . 18.6 Cg_endo -74.93 167.56 26.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 1.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.494 ' CG1' ' HB3' ' B' ' 81' ' ' ALA . 1.9 mt -118.99 125.21 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 1.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.651 ' CB ' ' CE2' ' B' ' 80' ' ' PHE . 11.8 m-20 -95.92 125.04 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.604 ' CD2' ' OE1' ' B' ' 77' ' ' GLU . 1.9 t-80 -116.48 99.43 7.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.565 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CD2' ' HZ ' ' B' ' 80' ' ' PHE . 10.6 m-30 -89.75 165.57 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 1.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.92 120.76 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.692 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 0.2 OUTLIER -97.01 132.79 42.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 111.034 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' B' ' 105' ' ' GLY . 4.6 t30 -140.44 178.81 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.254 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.566 ' H ' ' ND2' ' B' ' 104' ' ' ASN . . . 64.14 -170.25 20.79 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 1.0 111.062 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.1 10.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 1.0 109.24 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.477 ' O ' ' CD ' ' B' ' 108' ' ' LYS . . . 163.99 71.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 1.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' B' ' 107' ' ' GLY . 6.9 mmmt -142.2 147.18 36.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 0.736 . . . . 1.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.692 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 12.9 t -90.44 120.54 39.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' B' ' 34' ' ' ALA . 91.4 t -120.59 -75.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 134.83 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 1.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.45 ' O ' ' N ' ' B' ' 37' ' ' GLU . 0.6 OUTLIER -160.69 132.94 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -140.34 174.97 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 1.0 110.339 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' B' ' 38' ' ' ASP . . . -132.9 170.27 15.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.46 ' HG ' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -147.52 105.28 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 5.9 m-85 -100.67 -175.96 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' B' ' 121' ' ' ILE . . . -168.13 174.72 43.0 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 1.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -27.28 17.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 0.701 . . . . 1.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.7 15.67 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.404 ' O ' HG11 ' B' ' 95' ' ' VAL . 24.0 m120 -124.61 10.93 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.488 HG12 ' CG2' ' B' ' 95' ' ' VAL . 16.1 mt -117.66 139.41 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -136.83 98.75 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 1.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . 0.479 ' CB ' ' OG1' ' B' ' 93' ' ' THR . . . -96.75 145.88 25.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.389 1.056 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.47 179.19 43.39 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 1.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.571 0.806 . . . . 1.0 109.289 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.48 0.181 . . . . 1.0 111.084 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.454 ' ND2' ' CD2' ' A' ' 103' ' ' PHE . 10.2 t-20 -156.09 168.95 25.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.472 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -140.69 156.15 69.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.419 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.0 -40.61 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 1.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -63.39 -28.36 69.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 10.6 t-160 -77.82 -66.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.629 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' ' 3' ' ' THR . 1.0 OUTLIER -51.04 -41.07 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 73' ' ' ALA . 75.4 m -69.45 -45.02 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -59.04 -36.72 75.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 14' ' ' TYR . 25.5 t -69.53 -39.78 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.649 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 3.1 t -58.47 -42.36 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 1.0 109.275 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 1.0 110.33 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.13 -32.66 10.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 18.8 t80 -63.89 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 1.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.631 ' CG2' ' CZ ' ' A' ' 82' ' ' PHE . 2.7 t -45.85 -45.3 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.8 78.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . . . -62.35 -33.61 75.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.14 -53.12 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.302 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -58.43 -32.51 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.2 66.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 83.91 40.78 8.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.503 ' OD1' ' CB ' ' A' ' 17' ' ' ALA . 7.0 p30 -107.72 75.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 1.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 6.6 mt -55.52 -19.28 9.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 1.0 109.345 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -67.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 1.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -28.72 33.01 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.608 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 16.2 mt -76.59 -49.36 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.579 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 11.0 t -65.68 -15.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.72 -25.22 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.4 mt -58.63 -62.16 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 1.0 109.256 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.608 ' CE1' ' O ' ' A' ' 26' ' ' ILE . 50.3 p90 -89.31 -177.87 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.598 1.186 . . . . 1.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -55.87 -178.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -112.54 -15.64 13.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.62 17.77 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 1.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -67.5 176.11 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 p -136.61 128.84 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.415 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.475 ' CG2' HG12 ' A' ' 51' ' ' ILE . 38.4 t -99.85 153.43 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 112' ' ' MET . 4.5 mm-40 -141.65 72.43 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 1.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.536 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -137.12 146.18 53.4 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 1.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.536 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.1 Cg_endo -75.05 -66.5 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 -2.521 . . . . 1.0 111.039 -0.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -166.3 -174.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 1.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.64 43.67 66.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.574 1.171 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.96 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 1.0 109.955 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 178.98 62.65 0.1 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.04 156.28 42.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 1.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -149.71 83.81 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.6 p -92.79 137.51 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 110.083 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.29 156.99 27.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.46 1.1 . . . . 1.0 111.036 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.547 ' CG2' ' CG1' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -72.64 -17.06 61.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.745 . . . . 1.0 110.416 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.54 13.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.26 -40.12 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 1.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.569 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 16.7 mt -61.28 -40.36 85.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 1.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' THR . 1.4 tmm_? -76.52 -64.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.79 -35.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -77.3 -66.55 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.554 ' CE2' HG21 ' A' ' 51' ' ' ILE . 1.3 m-85 -42.66 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.83 -50.54 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -52.83 -25.05 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -86.8 -50.05 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.447 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -58.74 -16.92 18.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -23.41 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 12.7 tp -91.49 134.15 29.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 70.99 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 1.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.6 166.74 11.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.96 116.43 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 1.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG23 ' CG1' ' A' ' 84' ' ' VAL . 92.9 t -101.85 137.53 29.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.758 ' CD1' ' CZ ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -65.36 161.92 18.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.564 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER -174.08 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 110.399 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -65.6 -82.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' GLN . 1.5 mt-10 -178.36 175.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 1.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 80' ' ' PHE . 18.9 t -137.13 99.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' B' ' 96' ' ' ALA . 12.0 mmt85 -77.27 81.0 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 1.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.502 ' CB ' ' OG1' ' A' ' 8' ' ' THR . . . -89.96 117.53 28.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.474 ' CG1' HG22 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -177.42 150.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.84 50.26 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 1.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 51.34 21.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.24 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.468 ' O ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -120.05 159.91 23.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.0 110.346 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -148.71 95.65 2.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 109.277 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.429 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -102.34 97.95 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.649 ' CE1' ' CG2' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -112.89 163.63 14.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 1.0 111.009 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -127.0 114.94 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.758 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 30.7 m-85 -105.8 172.86 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.564 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -124.31 118.59 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.473 HG12 ' CD ' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -96.78 130.68 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.96 124.68 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 1.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -163.41 152.26 14.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -115.78 131.76 56.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 1.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -107.26 169.89 8.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 1.0 110.988 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.82 73.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 171.31 -31.66 0.13 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 1.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.13 -179.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 1.0 110.361 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -85.42 154.76 21.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 1.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.593 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 25.7 m -157.17 144.9 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 1.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -130.29 114.17 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.47 HG21 ' CG1' ' A' ' 121' ' ' ILE . 93.8 t -93.66 166.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -137.97 75.53 41.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.473 ' CD ' HG12 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 156.52 42.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.521 HG21 ' CD2' ' A' ' 100' ' ' HIS . 3.4 mt -115.88 121.35 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 4.6 m-20 -100.47 126.62 46.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.57 ' CE1' HD11 ' A' ' 115' ' ' LEU . 44.0 m170 -111.21 94.64 5.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 1.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 112' ' ' MET . 3.3 m-30 -81.57 158.08 24.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -138.26 93.14 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 1.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -67.06 147.92 52.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 1.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.467 ' O ' ' C ' ' A' ' 105' ' ' GLY . 5.3 m-20 -120.8 93.34 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 32.67 -133.16 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.554 1.159 . . . . 1.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.57 -15.57 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 1.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -60.71 -29.73 70.75 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.479 1.112 . . . . 1.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.3 OUTLIER 87.9 -175.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 0.735 . . . . 1.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' A' ' 103' ' ' PHE . 21.3 t -59.54 115.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.472 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 63.5 t -121.34 -4.57 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 132.23 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 1.0 109.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.542 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.4 mtm -143.03 132.01 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 1.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -126.88 167.51 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -139.83 164.75 29.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.57 HD11 ' CE1' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -152.1 102.0 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -115.8 131.03 57.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -119.39 -173.19 15.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 1.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 12.1 tp10 -101.67 -7.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 1.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.9 16.7 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.495 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 0.0 OUTLIER -132.41 42.58 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.372 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.593 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 4.9 mp -134.6 142.43 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 1.2 m-70 -132.64 107.7 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 1.0 109.651 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.14 157.53 21.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.64 173.47 46.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 1.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 109.305 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ttm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.472 0.177 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.92 137.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -95.39 155.46 38.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 1.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -63.0 -45.53 91.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.34 -44.8 74.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.648 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.8 mtm -55.77 -54.71 41.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -58.37 -45.75 87.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 1.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.4 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.81 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.522 HG11 ' CZ ' ' B' ' 80' ' ' PHE . 5.0 t -62.13 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.85 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.25 -39.83 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.472 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 10.3 t80 -59.88 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 1.0 111.057 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' B' ' 18' ' ' LEU . 71.3 t -58.32 -60.74 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.28 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.451 ' CB ' HG13 ' B' ' 26' ' ' ILE . . . -64.62 -41.15 96.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' B' ' 15' ' ' VAL . 7.9 tp -62.77 -55.34 27.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.66 -24.0 66.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.62 -16.03 56.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 66.08 38.69 94.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.555 1.159 . . . . 1.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -97.97 82.64 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.24 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' B' ' 59' ' ' LEU . 0.5 OUTLIER -54.17 -55.97 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -59.5 -26.81 65.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -71.04 -70.3 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 2.6 mp -47.84 -32.1 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 1.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.575 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 88.7 t -75.02 -36.6 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -66.77 -69.16 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 31.9 p90 -83.06 -175.88 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.478 ' CB ' HG21 ' B' ' 110' ' ' VAL . . . -49.26 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.477 ' O ' ' CG2' ' B' ' 48' ' ' THR . 1.2 p30 -103.16 -10.18 19.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -124.64 14.87 8.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 1.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' B' ' 51' ' ' ILE . . . -60.51 169.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 1.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -121.63 133.75 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 1.0 110.461 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' B' ' 51' ' ' ILE . 27.0 t -106.73 150.54 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 2.0 tm-20 -150.36 74.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 1.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.464 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -142.47 147.13 41.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' B' ' 116' ' ' PHE . 18.3 Cg_endo -75.0 -59.23 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.995 -2.502 . . . . 1.0 111.002 -0.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.496 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -162.04 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.91 19.45 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p 60.49 -178.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 109.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 70.69 64.94 0.44 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.1 Cg_endo -75.05 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 1.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -140.15 161.34 37.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 1.0 110.279 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.5 p -143.46 143.09 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 1.0 110.05 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 148.34 23.74 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 52' ' ' ARG . 31.0 p -63.9 -14.08 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.754 . . . . 1.0 110.434 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.71 -65.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.75 78.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.482 HG12 ' CG2' ' B' ' 36' ' ' VAL . 92.3 mt -56.82 -53.17 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 1.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' B' ' 48' ' ' THR . 39.9 ttp85 -58.52 -46.14 87.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 1.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.33 -35.68 74.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -62.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.498 ' OH ' ' CE ' ' B' ' 112' ' ' MET . 5.2 m-85 -52.16 -51.27 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' B' ' 23' ' ' LEU . . . -56.22 -58.47 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 2.6 m120 -43.32 -39.84 3.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 1.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -45.39 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 1.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.546 ' CD1' ' CD2' ' B' ' 23' ' ' LEU . 0.3 OUTLIER -58.37 -21.09 48.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 1.0 109.373 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -44.78 -26.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' B' ' 59' ' ' LEU . 13.3 tp -102.21 116.78 62.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.765 . . . . 1.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' B' ' 85' ' ' SER . 0.2 OUTLIER -124.22 -176.39 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' B' ' 85' ' ' SER . . . -122.97 87.75 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' B' ' 82' ' ' PHE . 76.8 t -88.03 138.24 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.435 ' HA ' ' CG1' ' B' ' 15' ' ' VAL . 10.3 tt0 -171.73 140.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 1.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.481 ' HA ' ' CB ' ' B' ' 82' ' ' PHE . 1.2 pp -69.95 151.11 45.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 1.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.47 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 3.5 mt-30 -143.63 -82.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.437 ' HE2' ' NH2' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -162.17 151.59 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' B' ' 80' ' ' PHE . 60.8 t -130.24 103.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.437 ' NH2' ' HE2' ' B' ' 70' ' ' GLU . 1.6 mpt_? -93.51 97.8 10.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -93.83 115.91 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' B' ' 77' ' ' GLU . 0.7 OUTLIER -174.75 -175.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 1.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 42.01 47.25 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 76' ' ' ASN . 0.4 OUTLIER 43.05 53.94 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.501 ' OE1' ' CD2' ' A' ' 115' ' ' LEU . 1.2 pp20? -179.37 146.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.291 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -106.61 128.69 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.49 103.87 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.522 ' CZ ' HG11 ' B' ' 11' ' ' VAL . 29.5 p90 -125.58 169.61 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.471 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -121.0 134.93 55.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 52.4 p90 -134.06 168.62 18.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 1.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -104.64 163.44 12.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 1.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.476 ' CG1' ' HD3' ' B' ' 97' ' ' PRO . 0.2 OUTLIER -141.2 114.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.461 1.1 . . . . 1.0 109.242 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 0.5 OUTLIER -87.58 117.25 26.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.521 ' CE1' HG22 ' B' ' 95' ' ' VAL . 1.4 p90 -154.62 142.72 20.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -114.55 133.22 55.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.3 OUTLIER -107.22 168.91 8.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.102 . . . . 1.0 111.008 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -63.91 74.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.18 . . . . 1.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 169.95 -31.14 0.15 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.603 1.189 . . . . 1.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.4 176.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 1.0 110.323 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -79.87 158.94 26.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.233 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.539 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 27.1 m -157.11 151.68 25.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 1.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -135.07 113.11 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.521 HG22 ' CE1' ' B' ' 86' ' ' PHE . 25.6 t -90.77 167.17 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.449 ' O ' ' NH1' ' A' ' 72' ' ' ARG . . . -141.66 70.25 25.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.04 164.21 33.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 1.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' B' ' 100' ' ' HIS . 4.7 mt -114.81 133.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 1.0 109.355 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.01 139.82 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.567 ' CE1' HG21 ' B' ' 98' ' ' ILE . 0.0 OUTLIER -138.92 97.56 3.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 1.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -93.61 129.36 39.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.447 ' HA ' ' CB ' ' B' ' 77' ' ' GLU . 1.8 tpp180 -95.96 127.95 42.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 1.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' B' ' 109' ' ' VAL . 20.8 m-85 -107.49 120.21 41.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 1.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 105' ' ' GLY . 11.2 m120 -157.97 -100.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 1.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' B' ' 106' ' ' ALA . . . 30.1 41.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 1.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' B' ' 105' ' ' GLY . . . 84.54 -50.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 1.0 109.259 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 104' ' ' ASN . . . -174.8 58.1 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 1.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.82 163.45 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 1.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -73.05 124.87 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' B' ' 110' ' ' VAL . 40.8 t -131.01 6.82 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.62 151.6 13.15 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 1.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.499 ' HE2' ' CE2' ' B' ' 30' ' ' PHE . 1.1 ptt? -170.62 137.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' B' ' 37' ' ' GLU . 21.2 ptt-85 -131.41 -179.1 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 1.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' B' ' 39' ' ' PRO . . . -142.82 171.05 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.7 110.92 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 1.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.57 ' CE1' ' CB ' ' B' ' 97' ' ' PRO . 5.0 m-85 -105.62 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 1.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -167.01 174.26 42.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -94.44 -24.38 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.24 11.82 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.213 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -111.66 28.71 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.539 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.5 mt -130.33 137.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -128.75 105.14 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.582 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.08 169.07 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 173.65 40.19 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 1.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 1.0 109.275 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mmm . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.445 0.164 . . . . 1.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.55 85.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -154.84 154.6 29.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 110.364 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' O ' ' OG1' ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.91 -26.12 11.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 1.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 6.1 pt-20 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.461 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 7.7 t-160 -73.81 -45.77 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 1.0 109.61 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.472 ' HG2' ' CB ' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -58.29 -58.25 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 1.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 4' ' ' PRO . 3.7 m -59.99 -45.34 93.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 1.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -58.3 -33.82 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.48 -44.18 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.575 HG23 ' CD2' ' A' ' 80' ' ' PHE . 73.1 t -57.02 -43.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -52.54 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 1.0 110.239 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -56.12 -38.14 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.575 ' CE1' HD23 ' A' ' 18' ' ' LEU . 81.7 t80 -61.33 -64.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 t -44.65 -44.4 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 1.0 109.215 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.25 27.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -59.93 -33.28 71.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 14' ' ' TYR . 3.9 mm? -63.26 -47.08 83.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -62.93 -35.09 78.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.21 -6.72 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 58.66 24.93 57.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 1.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.58 103.98 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 1.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' HG ' ' CB ' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -74.18 -62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 1.0 109.383 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -43.5 -41.37 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -64.94 -62.28 5.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.571 HG22 ' CE2' ' A' ' 55' ' ' TYR . 56.5 mt -51.44 -22.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.623 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 4.2 t -86.36 -30.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -85.4 -7.35 58.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.72 -68.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 51' ' ' ILE . 28.7 p90 -75.34 -174.51 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 1.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.618 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -54.0 -171.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 1.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 48' ' ' THR . 17.1 t70 -109.77 -7.44 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -141.67 34.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -73.82 -177.95 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p -129.47 122.08 28.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 1.0 110.345 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.509 ' CG2' HG12 ' A' ' 51' ' ' ILE . 47.9 t -102.89 143.12 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 113' ' ' ARG . 9.5 pt-20 -150.93 101.87 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.515 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -135.73 126.81 17.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -75.04 -74.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.001 -2.499 . . . . 1.0 111.01 0.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.554 ' CG1' ' CB ' ' B' ' 75' ' ' ALA . 1.3 t -144.44 142.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.83 26.82 18.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.431 1.082 . . . . 1.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -112.89 79.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.38 85.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 110.318 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 143.9 29.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 1.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -107.69 144.9 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -131.97 117.37 18.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.18 128.49 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 1.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 2.7 t -47.38 -23.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 1.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.64 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 1.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -58.57 -38.46 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 1.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 76.6 mt -57.3 -39.53 68.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.454 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -71.58 -69.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 1.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -44.54 -32.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 1.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.4 t80 -71.99 -67.95 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.571 ' CE2' HG22 ' A' ' 26' ' ' ILE . 1.9 m-85 -45.42 -39.89 7.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 1.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.492 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . . . -65.36 -54.27 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.33 -28.26 11.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -55.1 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.467 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 1.8 mt -53.89 -20.14 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -39.92 -29.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 86' ' ' PHE . 12.6 tp -93.23 136.08 24.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 83.7 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 1.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -107.39 -175.0 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.81 109.74 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 66' ' ' GLU . 3.0 t -92.83 141.66 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 83' ' ' THR . 9.3 tt0 -168.38 143.94 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 1.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.65 179.41 7.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.56 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 1.0 110.412 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.487 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -63.36 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -171.66 176.97 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 110.292 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 90.2 t -124.47 139.37 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 1.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' NH2' ' ND2' ' B' ' 120' ' ' ASN . 0.1 OUTLIER -117.7 85.61 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 110.337 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' C ' ' CG2' ' A' ' 74' ' ' VAL . . . -89.72 136.5 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.28 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.561 ' CG1' ' CG2' ' B' ' 40' ' ' VAL . 0.8 OUTLIER -152.63 -143.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -45.37 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 17.9 m-80 36.05 34.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.59 ' OE1' ' CE1' ' A' ' 100' ' ' HIS . 3.2 mt-10 -125.77 158.48 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 1.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 7' ' ' MET . . . -154.23 90.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.5 100.45 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 99' ' ' ASP . 41.3 p90 -122.48 154.99 37.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -107.79 124.99 50.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.622 1.201 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 24.4 p90 -123.3 173.84 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 1.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -114.79 155.4 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 110.386 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.676 ' CG2' ' CE2' ' A' ' 86' ' ' PHE . 1.4 p -151.74 109.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -98.69 134.32 41.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.057 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.676 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 0.9 OUTLIER -120.69 167.42 12.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 37.7 tt0 -150.55 140.29 21.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' O ' ' CG ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -179.35 134.62 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 1.0 110.934 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 55.41 44.8 26.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 1.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.06 6.51 46.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 1.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 27.5 mtt180 -91.83 154.91 18.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 1.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 124' ' ' GLY . 16.5 mttp -151.6 122.43 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 94' ' ' VAL . 2.8 m -127.63 170.68 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.619 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 1.4 p -148.0 96.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 1.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.501 ' C ' ' HD3' ' A' ' 97' ' ' PRO . 41.3 t -88.14 142.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.478 ' N ' HG11 ' A' ' 95' ' ' VAL . . . -122.61 70.01 35.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.585 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.0 Cg_endo -74.99 170.41 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.475 HD13 ' CZ ' ' B' ' 72' ' ' ARG . 4.3 mt -118.27 122.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 1.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -90.36 125.21 35.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.258 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.59 ' CE1' ' OE1' ' A' ' 77' ' ' GLU . 51.8 t-80 -114.6 95.93 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 1.0 109.575 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -90.28 143.62 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.488 ' CG ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -131.02 92.92 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 109' ' ' VAL . 2.6 m-85 -67.25 156.17 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 0.6 OUTLIER 156.48 -172.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 1.0 109.239 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 106' ' ' ALA . . . 37.79 91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.384 1.053 . . . . 1.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 105' ' ' GLY . . . 81.87 -3.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 1.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.08 23.76 56.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 1.0 110.973 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -114.33 167.88 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 1.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 103' ' ' PHE . 31.4 t -76.4 115.51 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 109.385 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.495 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 62.5 t -115.11 -12.03 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 1.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 102' ' ' ARG . 0.5 OUTLIER -128.01 124.93 38.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.026 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.3 ttp -136.51 99.75 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.471 ' HD2' ' CD1' ' A' ' 115' ' ' LEU . 2.6 ttm-85 -118.83 123.26 44.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 1.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -103.56 117.0 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -95.87 120.79 36.77 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 97' ' ' PRO . 3.5 m-85 -101.35 -175.2 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.46 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -158.05 -173.14 26.08 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.508 1.13 . . . . 1.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.94 -18.11 13.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 1.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -109.2 14.88 23.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 1.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' ND2' ' NE ' ' B' ' 72' ' ' ARG . 43.0 m-80 -111.56 -12.77 13.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 1.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.549 ' N ' ' CD1' ' A' ' 121' ' ' ILE . 1.9 mp -102.91 135.33 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -133.9 102.93 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.606 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.51 161.41 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . -172.87 -173.24 39.19 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 1.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 1.0 109.265 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.524 0.202 . . . . 1.0 111.049 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -82.48 85.27 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -127.22 155.51 76.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.771 . . . . 1.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.58 84.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -70.54 -44.12 68.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.571 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -56.27 -54.83 40.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -59.05 -49.84 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.28 -37.96 67.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 1.0 109.296 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 t -68.16 -35.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 1.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.45 HG23 ' CD1' ' B' ' 80' ' ' PHE . 6.4 t -65.0 -49.34 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.71 -53.9 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.36 -41.51 76.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.471 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 21.3 t80 -56.81 -53.9 52.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.062 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' B' ' 66' ' ' GLU . 53.6 t -54.25 -57.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.75 -42.3 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.65 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.83 -55.25 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.76 -26.33 68.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.43 -11.75 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 65.39 25.19 71.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.546 1.154 . . . . 1.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.499 ' O ' ' CD1' ' B' ' 26' ' ' ILE . 13.4 t0 -84.53 87.91 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 1.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' B' ' 55' ' ' TYR . 2.0 mt -65.61 -59.01 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -51.65 -43.28 62.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -59.73 9.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 1.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.592 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 9.0 mt -50.74 -39.95 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.574 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 41.6 t -65.08 -34.88 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.47 57.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -60.54 -46.04 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 1.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 5.4 p90 -113.09 -175.37 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -52.42 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -106.35 -19.95 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 1.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.85 21.3 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -62.4 153.87 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 1.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.465 ' HA ' ' CB ' ' B' ' 46' ' ' SER . 20.5 p -100.91 124.99 47.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 1.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.49 ' CG2' HG12 ' B' ' 51' ' ' ILE . 21.4 t -100.56 138.02 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -126.76 63.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.6 ' CG ' ' CZ ' ' B' ' 54' ' ' PHE . 0.9 OUTLIER -115.8 134.33 22.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -74.93 -57.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.095 0 C-N-CA 121.025 -2.489 . . . . 1.0 110.983 -0.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.561 ' CG2' ' CG1' ' A' ' 74' ' ' VAL . 2.5 t -112.48 -174.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' B' ' 43' ' ' GLU . . . -53.77 -17.37 6.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.554 1.159 . . . . 1.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -57.97 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 0.718 . . . . 1.0 110.019 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' GLY . 0.2 OUTLIER 83.84 86.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 1.0 110.263 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.808 . . . . 1.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.459 ' CD ' ' HB2' ' B' ' 50' ' ' ALA . 9.4 mtt180 -160.02 175.26 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' B' ' 35' ' ' THR . 1.3 p 178.61 150.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 1.0 110.08 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.62 155.84 30.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 29.8 p -64.8 -15.97 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 0.812 . . . . 1.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -74.08 -59.78 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.459 ' HB2' ' CD ' ' B' ' 45' ' ' ARG . . . -67.8 -33.61 75.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.49 HG12 ' CG2' ' B' ' 36' ' ' VAL . 20.9 mt -63.64 -65.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 2.6 ttp180 -56.49 -48.04 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 62.8 tt0 -54.49 -35.87 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 110.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.6 ' CZ ' ' CG ' ' B' ' 38' ' ' ASP . 0.2 OUTLIER -74.83 -72.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.506 ' CB ' ' CD2' ' B' ' 23' ' ' LEU . 4.4 m-85 -46.26 -25.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 1.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -77.04 -67.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -50.58 -22.97 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -85.69 -46.84 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 1.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 0.6 OUTLIER -60.5 -21.7 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 1.0 109.233 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -19.62 8.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -99.46 140.11 21.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.478 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 55.08 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -93.89 132.13 38.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 1.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . 0.421 ' N ' HD21 ' B' ' 63' ' ' LEU . . . -108.07 98.8 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.418 HG11 ' N ' ' B' ' 66' ' ' GLU . 1.6 t -93.49 146.86 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.477 ' HA ' ' CG1' ' B' ' 15' ' ' VAL . 4.1 tt0 -167.49 138.19 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 1.0 110.27 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.479 ' HA ' ' CB ' ' B' ' 82' ' ' PHE . 0.3 OUTLIER -74.29 140.5 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 1.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.479 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 73.3 p -114.55 -23.26 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' B' ' 69' ' ' GLN . 0.2 OUTLIER 171.23 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 1.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.491 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 2.2 mt-10 60.33 116.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 1.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' B' ' 70' ' ' GLU . 42.6 t -155.21 70.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.475 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 14.0 mmt85 -66.25 92.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.461 ' HB3' ' CE ' ' B' ' 7' ' ' MET . . . -97.82 79.34 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' B' ' 75' ' ' ALA . 1.5 t -138.78 161.08 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.554 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . 48.05 50.15 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.541 HD22 ' N ' ' B' ' 105' ' ' GLY . 2.0 t-20 45.41 43.65 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.414 ' OE1' ' CG ' ' B' ' 102' ' ' ARG . 2.0 tp10 -148.1 126.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.66 96.41 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.701 ' CB ' ' CE1' ' B' ' 100' ' ' HIS . . . -100.69 100.07 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.687 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 26.4 p90 -112.24 161.26 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 1.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.32 116.02 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 1.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.49 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 28.9 p90 -116.2 -168.8 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.159 . . . . 1.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.1 OUTLIER -128.02 160.71 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.9 OUTLIER -137.81 113.69 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.87 114.55 26.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 1.0 110.059 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.448 ' CE1' HG22 ' B' ' 95' ' ' VAL . 2.1 p90 -153.08 147.41 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -118.79 133.56 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -110.32 170.15 8.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.978 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -63.68 72.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 1.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 172.81 -32.16 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 1.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 166.06 179.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 1.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.457 ' CD ' ' HB1' ' B' ' 125' ' ' ALA . 1.0 OUTLIER -89.03 156.41 18.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 1.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.599 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 33.1 m -156.75 144.78 19.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -127.44 113.94 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 1.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.448 HG22 ' CE1' ' B' ' 86' ' ' PHE . 13.1 t -93.24 166.71 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.09 67.18 33.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.49 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.28 35.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.475 HG13 ' CD ' ' A' ' 72' ' ' ARG . 3.4 mt -111.89 123.56 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.687 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -92.44 119.58 32.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.368 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.701 ' CE1' ' CB ' ' B' ' 79' ' ' ALA . 0.2 OUTLIER -101.93 93.82 5.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 1.0 109.573 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.408 ' HZ ' ' CD1' ' B' ' 14' ' ' TYR . 9.9 m-30 -84.41 143.04 29.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.155 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' OE1' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -126.18 123.94 39.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 1.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.574 ' CZ ' ' CG2' ' B' ' 109' ' ' VAL . 0.8 OUTLIER -107.09 138.22 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' B' ' 105' ' ' GLY . 8.8 t-20 -91.33 110.64 21.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.541 ' N ' HD22 ' B' ' 76' ' ' ASN . . . -36.99 -36.31 0.18 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.135 . . . . 1.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.58 85.37 2.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 0.74 . . . . 1.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' B' ' 108' ' ' LYS . . . 153.69 -21.9 0.71 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 1.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' B' ' 107' ' ' GLY . 2.5 mttt 87.33 -174.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 0.8 . . . . 1.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.574 ' CG2' ' CZ ' ' B' ' 103' ' ' PHE . 43.9 t -53.55 115.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.47 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 53.6 t -134.08 8.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 109.332 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.81 138.24 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.536 ' HE2' ' CZ ' ' B' ' 30' ' ' PHE . 1.6 mtt -146.99 151.27 36.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -152.73 169.99 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 1.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' B' ' 39' ' ' PRO . . . -143.87 167.27 22.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.13 110.42 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' B' ' 116' ' ' PHE . 3.5 p90 -120.04 123.48 43.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' B' ' 120' ' ' ASN . . . -103.98 173.34 21.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.2 OUTLIER -93.08 -10.25 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.786 . . . . 1.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -104.46 11.48 34.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.499 ' ND2' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -115.45 30.71 7.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.599 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 2.1 mt -127.06 140.66 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . 0.54 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.2 OUTLIER -130.97 100.38 5.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 1.0 109.608 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.52 173.25 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' B' ' 125' ' ' ALA . . . 172.92 177.23 42.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.506 1.129 . . . . 1.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 0.798 . . . . 1.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.476 0.179 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.42 ' HA ' ' ND2' ' A' ' 76' ' ' ASN . 25.2 t-20 177.7 54.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 1.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -128.39 155.65 78.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.07 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -30.81 6.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.545 1.813 . . . . 1.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -45.86 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 1.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -69.49 -47.55 63.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 109.644 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -54.6 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 1.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -61.07 -37.36 82.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.42 94.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.433 HG12 ' CZ ' ' A' ' 103' ' ' PHE . 78.0 t -64.39 -35.07 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.38 -51.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 1.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -60.04 -46.57 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.43 -43.4 98.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 1.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 39.4 t80 -56.2 -49.61 73.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 1.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 97.1 t -58.39 -62.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 20' ' ' ALA . . . -42.28 -38.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.28 -46.77 69.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.387 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 9.6 tp -57.98 -57.66 11.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 4.9 t-20 -57.67 -41.18 81.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -61.0 -18.58 58.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 82.89 7.34 87.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.583 1.177 . . . . 1.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 15.0 m-20 -65.96 74.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 1.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -56.89 -60.0 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -50.86 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.55 -42.02 19.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 1.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.588 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 15.0 mt -66.58 -48.5 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -60.77 -19.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.619 1.199 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.93 -22.39 17.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.387 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.6 tt -54.42 -40.16 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.155 . . . . 1.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 1.9 p90 -114.09 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 1.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' PHE . . . -44.55 166.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -94.31 -16.88 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.63 19.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 1.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.491 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -63.75 158.82 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 p -113.57 123.93 51.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 1.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.482 HG22 ' CG2' ' A' ' 51' ' ' ILE . 23.4 t -102.86 159.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 11.7 tp10 -155.84 73.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.483 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -144.32 150.02 46.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 1.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.483 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.96 -63.26 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.981 -2.508 . . . . 1.0 111.008 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' B' ' 74' ' ' VAL . 0.2 OUTLIER -151.78 -175.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.183 . . . . 1.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 12.25 37.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 1.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p 63.2 -178.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 0.763 . . . . 1.0 109.93 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.55 76.23 0.14 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.4 22.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.583 1.833 . . . . 1.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -130.22 119.26 22.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 p -106.45 132.6 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 1.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.92 127.99 5.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 1.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.417 ' OG1' ' CG1' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -47.72 -23.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 1.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.89 -50.67 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.02 74.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CG2' HG22 ' A' ' 36' ' ' VAL . 61.7 mt -64.12 -66.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -51.4 -38.63 54.45 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 1.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.03 -49.82 74.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -62.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -45.78 -39.93 8.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 1.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -67.37 -52.52 38.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.34 -25.15 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -76.86 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 1.0 110.032 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.461 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.3 OUTLIER -53.82 -19.82 4.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 14.4 tp -93.65 139.28 22.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.076 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.01 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 1.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -84.63 -175.1 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.55 98.35 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 54.6 t -93.96 140.3 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 1.1 tt0 -171.84 130.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -64.24 165.51 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.449 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.2 OUTLIER -139.76 -44.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 110.397 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' CD ' ' OG1' ' A' ' 68' ' ' THR . 0.0 OUTLIER -170.68 -169.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 1.0 110.242 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.53 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER 59.85 119.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.909 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 58.7 t -157.61 61.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.909 ' NH2' ' H ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -58.8 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -95.01 117.65 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.413 ' CG1' HG22 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -176.68 153.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.98 50.69 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 1.0 109.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER 50.29 30.03 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.4 mt-10 -129.21 169.5 14.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -157.55 102.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 100' ' ' HIS . . . -102.32 92.9 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.663 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 38.8 p90 -105.37 158.16 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.472 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -113.59 113.84 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 29.2 p90 -113.35 -177.82 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.449 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -118.93 164.17 15.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.107 . . . . 1.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 86' ' ' PHE . 1.3 p -159.46 106.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.492 ' CB ' HG21 ' A' ' 94' ' ' VAL . 5.7 t -97.86 136.59 37.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -124.26 170.3 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.961 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -142.77 110.12 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 1.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -96.05 -171.72 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 111.04 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -54.77 83.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 1.0 110.324 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 72.11 40.84 55.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.596 1.185 . . . . 1.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -153.05 165.26 36.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 1.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.51 158.85 44.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 1.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 85' ' ' SER . 98.1 m -151.71 166.3 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -142.8 96.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 96' ' ' ALA . 58.4 t -92.72 146.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.471 ' N ' HG11 ' A' ' 95' ' ' VAL . . . -126.44 70.63 70.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.576 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -74.94 163.4 35.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 111.031 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 81' ' ' ALA . 27.4 mt -113.72 118.83 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.663 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.0 m-20 -94.62 135.87 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.423 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 10.1 t-160 -123.58 108.4 12.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 15.4 m-30 -97.62 157.91 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -148.15 109.05 4.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 110.309 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CE1' HG23 ' A' ' 109' ' ' VAL . 5.7 m-30 -93.88 157.0 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -170.63 -174.18 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 106' ' ' ALA . . . 65.02 9.94 43.69 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.403 1.064 . . . . 1.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 105' ' ' GLY . . . 83.42 77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 1.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.13 46.77 77.85 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 1.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -139.28 104.1 4.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.482 0.754 . . . . 1.0 109.383 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' A' ' 103' ' ' PHE . 12.6 t -75.66 116.64 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 1.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.491 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 21.2 t -134.11 9.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.33 113.38 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -148.76 133.92 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -141.66 178.75 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -144.69 168.24 20.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 1.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.71 108.62 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 97' ' ' PRO . 1.1 m-85 -69.37 -175.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.54 175.05 21.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -123.06 -3.37 8.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.786 . . . . 1.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -133.18 9.24 4.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.49 ' ND2' ' NE ' ' B' ' 72' ' ' ARG . 1.3 m-20 -113.67 27.01 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.404 HG13 ' CG2' ' A' ' 95' ' ' VAL . 2.8 mp -121.61 138.41 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 0.6 OUTLIER -128.39 104.37 7.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.0 109.602 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.93 18.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.26 175.44 46.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 1.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 1.0 109.338 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.452 ' HG3' ' CG2' ' B' ' 3' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.538 0.209 . . . . 1.0 110.956 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' B' ' 76' ' ' ASN . 0.6 OUTLIER -79.35 98.48 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 1.0 109.36 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.452 ' CG2' ' HG3' ' B' ' 1' ' ' MET . 9.7 p -128.38 155.74 78.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 1.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.36 9.22 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 1.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.51 -38.89 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -72.33 -48.21 43.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 1.0 109.643 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.0 mtm -57.08 -53.92 52.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.443 1.089 . . . . 1.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -60.47 -44.07 96.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.435 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.79 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.12 -57.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE1' ' B' ' 80' ' ' PHE . 3.3 t -52.88 -36.12 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.59 -54.17 31.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 1.0 110.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -34.77 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -65.56 -50.39 65.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 t -55.5 -46.17 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.03 -64.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 1.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.29 -37.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.45 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 9.7 tp -60.97 -57.84 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 1.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -60.06 -16.05 28.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 1.0 109.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.86 -29.69 23.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 1.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 88.28 20.05 50.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 47.1 t0 -80.64 90.24 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' B' ' 56' ' ' ALA . 1.4 mt -71.91 -60.19 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -47.91 -49.66 29.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.38 -61.29 6.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 1.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.61 ' O ' ' CE1' ' B' ' 30' ' ' PHE . 43.7 mt -41.8 -35.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 1.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.601 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 1.0 OUTLIER -71.1 -47.64 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -69.45 -6.57 31.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 109.238 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.06 -37.26 82.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' B' ' 26' ' ' ILE . 0.8 OUTLIER -117.59 -174.31 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 1.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.406 ' CB ' HG23 ' B' ' 110' ' ' VAL . . . -43.9 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.525 ' C ' ' OG1' ' B' ' 48' ' ' THR . 2.6 p30 -80.33 -1.83 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 34' ' ' ALA . 9.0 t0 -129.91 -76.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 1.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.575 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . 43.86 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.462 HG21 ' CB ' ' B' ' 46' ' ' SER . 64.4 p -149.73 127.97 12.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.52 ' CG2' HG12 ' B' ' 51' ' ' ILE . 14.0 t -109.93 136.85 44.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.541 ' O ' ' CG ' ' B' ' 37' ' ' GLU . 0.2 OUTLIER -145.25 109.22 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 1.0 110.359 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.582 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -161.62 145.82 9.85 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.582 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -74.98 -70.87 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.056 -2.477 . . . . 1.0 110.957 -0.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.528 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -163.61 175.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.177 . . . . 1.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 127.8 -1.4 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 1.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.2 m 86.81 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 1.0 110.09 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.45 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 6.3 tp10 -179.55 62.11 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.06 166.07 29.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.485 1.781 . . . . 1.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.72 144.37 50.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.462 ' CB ' HG21 ' B' ' 35' ' ' THR . 96.2 p -132.53 140.96 48.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.32 125.94 5.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.388 1.055 . . . . 1.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.525 ' OG1' ' C ' ' B' ' 32' ' ' ASP . 2.7 m -53.36 -19.44 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -53.79 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.01 -25.06 65.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' B' ' 30' ' ' PHE . 65.2 mt -71.74 -45.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.471 ' CB ' HG22 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -69.24 -44.61 71.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.03 -46.36 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -61.38 -60.6 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' B' ' 59' ' ' LEU . 1.6 m-85 -58.03 -22.17 48.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.47 ' HA ' ' CD1' ' B' ' 23' ' ' LEU . . . -72.03 -68.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 1.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' B' ' 57' ' ' ASN . 0.9 OUTLIER -47.4 -35.22 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.424 ' N ' ' ND2' ' B' ' 57' ' ' ASN . 36.6 t -71.64 -46.38 59.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 0.2 OUTLIER -59.2 -23.62 62.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 1.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -44.27 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.497 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 9.6 tp -95.83 140.52 22.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.497 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.98 54.95 3.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 1.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' B' ' 86' ' ' PHE . 1.0 OUTLIER -57.03 160.87 3.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' B' ' 85' ' ' SER . . . -132.03 64.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' B' ' 82' ' ' PHE . 55.2 t -69.3 139.3 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.42 ' N ' HG11 ' B' ' 65' ' ' VAL . 25.6 tp10 -161.74 142.56 10.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.108 . . . . 1.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' B' ' 82' ' ' PHE . 0.2 OUTLIER -76.64 169.72 17.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.418 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.1 OUTLIER -175.07 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 1.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.15 -101.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.457 ' CD ' ' NH2' ' B' ' 72' ' ' ARG . 3.3 pt-20 -169.79 176.8 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 95.8 t -122.84 138.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.49 ' NE ' ' ND2' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -114.46 84.86 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -86.52 137.53 32.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 1.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 116' ' ' PHE . 1.5 t -147.48 -148.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . -48.76 97.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' B' ' 2' ' ' ASN . 8.6 m-80 39.17 31.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 0.1 OUTLIER -123.88 156.98 35.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.253 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -153.51 94.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.48 100.07 9.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.234 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' B' ' 99' ' ' ASP . 22.7 p90 -117.49 157.54 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.461 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -107.85 119.11 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.603 ' CD1' ' OD1' ' B' ' 99' ' ' ASP . 7.3 p90 -121.75 162.18 21.29 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.596 1.185 . . . . 1.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.418 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -107.72 160.35 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.413 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.55 HG11 ' CE2' ' B' ' 82' ' ' PHE . 0.7 OUTLIER -136.96 115.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' B' ' 64' ' ' ALA . 0.4 OUTLIER -94.51 114.37 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 109.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 3.6 p90 -147.47 147.38 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.453 ' CG ' ' HG3' ' B' ' 92' ' ' LYS . 54.2 tt0 -124.91 129.98 51.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -106.03 166.36 10.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.58 71.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 174.18 -32.81 0.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.574 1.171 . . . . 1.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' B' ' 90' ' ' GLY . 2.4 mtt-85 172.87 -179.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 0.776 . . . . 1.0 110.375 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.453 ' HG3' ' CG ' ' B' ' 87' ' ' GLU . 10.1 mttt -95.78 158.78 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.574 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 4.0 m -155.02 146.4 23.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -130.87 116.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.495 HG22 ' CE1' ' B' ' 86' ' ' PHE . 3.4 t -96.44 162.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.46 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -142.81 63.53 13.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.577 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -74.97 162.8 36.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 1.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.476 ' CD1' ' HD2' ' A' ' 72' ' ' ARG . 48.4 mt -111.58 118.76 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CG ' ' CZ ' ' B' ' 80' ' ' PHE . 0.0 OUTLIER -97.79 131.6 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -129.34 116.23 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.566 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' B' ' 99' ' ' ASP . 2.4 m-85 -121.43 159.25 26.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 1.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' B' ' 111' ' ' SER . 1.6 ptt85 -133.74 135.81 44.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 1.0 110.312 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' B' ' 109' ' ' VAL . 2.2 m-85 -84.39 151.25 24.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 1.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' B' ' 105' ' ' GLY . 1.2 t-20 -124.46 -179.31 4.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' B' ' 104' ' ' ASN . . . -35.92 152.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 1.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.81 14.92 6.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 0.702 . . . . 1.0 109.239 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 51.21 64.43 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 1.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 131.52 31.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 1.0 109.328 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' B' ' 103' ' ' PHE . 2.7 t -66.1 117.56 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.575 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 94.8 t -116.28 -15.04 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 1.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' SER . . . . . 0.424 ' CB ' ' HG2' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -129.45 124.55 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.453 ' HE3' ' CB ' ' B' ' 34' ' ' ALA . 0.0 OUTLIER -144.55 118.42 9.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 111.071 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CB ' ' HG3' ' B' ' 37' ' ' GLU . 4.0 mtm-85 -131.16 162.18 30.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 1.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' B' ' 38' ' ' ASP . . . -125.13 165.04 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.82 107.86 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -125.13 148.81 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.434 ' N ' ' OD1' ' B' ' 120' ' ' ASN . . . -123.84 -173.27 13.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.84 -27.09 44.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 1.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 5.71 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' B' ' 96' ' ' ALA . 3.6 m120 -89.97 -19.07 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 109.248 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.477 ' CG2' HG23 ' B' ' 93' ' ' THR . 2.3 mp -96.29 135.21 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -131.8 95.46 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 1.0 109.525 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.36 165.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.322 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 179.08 173.43 44.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 1.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.736 . . . . 1.0 109.298 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.469 0.176 . . . . 1.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER 58.42 165.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 1.0 109.368 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.521 HG22 ' CG ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -129.89 151.76 78.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.423 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -34.89 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 1.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.07 -41.79 79.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.521 ' CG ' HG22 ' A' ' 3' ' ' THR . 9.4 m170 -76.64 -53.02 8.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -42.2 25.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -73.53 -51.74 15.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 1.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.8 -36.98 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.377 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.2 t -72.31 -52.01 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.56 HG21 ' CE2' ' A' ' 101' ' ' PHE . 3.9 t -50.76 -35.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -25.39 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 15.7 t80 -74.41 -57.34 4.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 1.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 2.9 t -49.54 -46.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.27 -63.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.55 -37.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.12 -53.72 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -60.78 -17.9 51.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.13 -24.42 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 78.07 41.67 17.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 1.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -94.26 95.44 8.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 1.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.82 -51.7 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 1.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -46.12 87.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.65 -61.97 6.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.598 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 53.8 mt -49.33 -36.01 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 1.0 109.215 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.9 t -69.29 -35.53 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -76.74 -16.91 59.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.3 mt -64.3 -66.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 29.5 p90 -88.12 -175.47 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' PHE . . . -51.13 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -111.64 -13.29 13.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.269 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -115.66 6.54 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 109.261 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -56.54 176.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.0 p -132.87 123.65 26.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.459 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 44' ' ' PRO . 82.5 t -90.59 137.82 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -145.74 63.75 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.516 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -131.43 141.63 42.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 1.0 109.408 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.516 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.07 -65.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.953 -2.519 . . . . 1.0 111.025 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG22 ' CG1' ' B' ' 74' ' ' VAL . 0.6 OUTLIER -148.4 -176.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.8 5.6 31.11 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.419 1.074 . . . . 1.0 111.066 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 m 63.37 -178.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 1.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.25 65.76 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.3 Cg_endo -74.95 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.29 107.39 9.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -90.68 139.61 30.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 1.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 96.38 124.13 4.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 1.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -41.86 -27.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 1.0 110.415 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -65.02 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.44 67.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 36' ' ' VAL . 78.9 mt -62.84 -44.31 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -59.03 6.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 1.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -49.19 -42.73 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 1.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.55 -62.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 1.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -55.7 -18.13 7.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.06 -66.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -51.01 -29.96 13.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 109.287 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -76.98 -51.89 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.961 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.443 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 11.0 mt -56.62 -20.65 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.65 -27.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 1.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 10.6 tp -101.33 139.96 20.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 1.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.03 56.56 4.31 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 1.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 86' ' ' PHE . 15.3 mt -53.13 165.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 1.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 85' ' ' SER . . . -133.4 63.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 82' ' ' PHE . 96.1 t -76.37 137.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 1.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 41.1 tt0 -156.5 145.97 20.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 1.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' N ' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -76.87 144.41 39.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER 175.26 68.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 110.426 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER 178.35 -150.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.1 156.22 17.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 110.36 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 96.3 t -129.18 102.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.693 ' NH2' HD22 ' B' ' 120' ' ' ASN . 0.0 OUTLIER -71.67 79.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.11 111.46 23.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.53 155.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB1' ' N ' ' B' ' 41' ' ' GLY . . . 54.38 50.42 16.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.8 m120 51.64 26.13 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -121.29 165.96 14.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 1.0 110.382 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.09 90.76 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.695 ' CB ' ' CD2' ' A' ' 100' ' ' HIS . . . -108.0 95.73 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 99' ' ' ASP . 50.5 p90 -112.16 163.9 13.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 98' ' ' ILE . . . -115.25 121.34 42.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.594 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 35.8 p90 -125.22 168.62 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.52 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 110.413 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.595 ' CG1' ' CD ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -146.09 98.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.257 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.428 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 1.3 t -81.06 141.35 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 93' ' ' THR . 3.0 p90 -158.93 144.48 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -109.22 112.23 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.247 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.01 139.84 52.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 52.11 50.63 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.32 30.6 25.69 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 1.0 110.993 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -128.36 142.73 51.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 0.74 . . . . 1.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.45 118.75 37.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 1.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 10.1 m -130.23 147.49 51.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 1.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -124.9 120.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.552 HG22 ' CE1' ' A' ' 86' ' ' PHE . 9.1 t -99.5 163.48 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -142.03 66.14 20.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 169.93 21.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 1.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.554 ' CG2' ' NE2' ' A' ' 100' ' ' HIS . 1.4 mt -115.1 126.4 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.594 ' OD2' ' CE1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -98.57 129.28 45.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 1.0 109.31 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.695 ' CD2' ' CB ' ' A' ' 79' ' ' ALA . 43.3 m170 -114.57 116.51 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CE2' HG21 ' A' ' 11' ' ' VAL . 16.5 m-30 -113.26 139.91 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -119.63 97.74 5.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 1.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.576 ' CD2' HG21 ' A' ' 109' ' ' VAL . 1.2 m-85 -75.17 117.72 17.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 1.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.454 ' CG ' ' N ' ' A' ' 105' ' ' GLY . 4.5 p30 176.99 -147.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 1.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.454 ' N ' ' CG ' ' A' ' 104' ' ' ASN . . . 58.46 15.0 22.71 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.457 1.098 . . . . 1.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 57.66 15.66 3.01 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.44 0.73 . . . . 1.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -133.45 4.37 4.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 1.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 5.0 mttt 91.42 -161.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.576 HG21 ' CD2' ' A' ' 103' ' ' PHE . 85.8 t -38.33 114.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 109.258 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 88.9 t -114.52 -30.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.49 112.16 23.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 1.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' GLU . 1.1 ttp -123.74 115.34 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -143.25 135.83 27.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.293 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.495 ' CB ' ' OD1' ' A' ' 38' ' ' ASP . . . -104.41 166.84 10.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' B' ' 74' ' ' VAL . 0.5 OUTLIER -147.49 106.42 3.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 1.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -122.18 127.3 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -108.96 173.07 17.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 1.6 tt0 -76.5 -2.48 32.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 0.767 . . . . 1.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.81 27.22 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -139.64 24.83 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.462 ' CG2' HG23 ' A' ' 93' ' ' THR . 2.2 mp -128.11 137.14 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -125.94 118.09 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.15 147.68 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 1.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -177.02 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 1.0 109.357 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 t30 49.27 57.07 6.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 1.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.507 ' OG1' ' CG ' ' B' ' 6' ' ' HIS . 3.1 p -118.58 157.31 50.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.5 Cg_endo -74.92 -33.73 4.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 1.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -31.43 66.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' OG1' ' B' ' 3' ' ' THR . 25.4 m170 -75.4 -61.44 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.589 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' B' ' 73' ' ' ALA . 21.6 ptp -53.44 -39.98 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' B' ' 7' ' ' MET . 76.8 m -69.42 -43.75 72.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -34.4 69.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.467 1.104 . . . . 1.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.8 -50.79 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' B' ' 80' ' ' PHE . 2.5 t -50.82 -37.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -68.77 -54.29 16.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.8 -28.25 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.314 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.461 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 25.0 t80 -72.49 -59.48 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.32 -46.34 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 1.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -63.76 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 1.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.2 -35.39 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.367 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.4 -58.76 5.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -16.84 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.66 -33.24 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 89.02 29.51 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.066 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.493 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 33.3 m-20 -92.63 92.71 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 1.0 109.213 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.04 -61.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -50.24 42.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.14 -60.12 9.18 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.449 1.093 . . . . 1.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.603 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 30.4 mt -43.15 -40.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.56 0.8 . . . . 1.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.566 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 24.4 t -64.97 -46.96 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -66.0 -14.4 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -65.51 -46.46 79.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.1 p90 -113.46 -176.38 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.93 170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 1.0 109.285 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.467 ' O ' ' CG2' ' B' ' 48' ' ' THR . 2.5 p30 -97.55 -16.93 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.66 24.9 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -68.65 158.19 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 12.8 p -120.72 121.74 38.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 1.0 110.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.465 ' CG2' HG12 ' B' ' 51' ' ' ILE . 28.7 t -97.96 151.33 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.479 ' CA ' ' OE1' ' B' ' 37' ' ' GLU . 2.6 tp10 -150.15 85.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 1.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.483 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -144.63 145.98 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.533 ' HB3' ' CD1' ' B' ' 116' ' ' PHE . 18.3 Cg_endo -74.95 -62.98 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.513 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -166.36 -175.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.403 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 102.54 3.02 50.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.087 . . . . 1.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.7 m 85.24 114.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 0.801 . . . . 1.0 109.958 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.6 OUTLIER 160.71 70.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 167.79 26.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 1.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' B' ' 54' ' ' PHE . 3.8 ptt180 -147.72 96.68 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -90.56 135.82 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.37 144.79 14.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 50.4 p -61.79 -13.49 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 1.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -76.16 -48.99 18.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.364 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.11 -33.61 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 109.255 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' B' ' 55' ' ' TYR . 97.2 mt -67.34 -51.14 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' B' ' 48' ' ' THR . 11.2 ptm180 -71.08 -38.4 72.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 7.0 tt0 -54.76 -55.02 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.651 ' CE1' ' NH2' ' B' ' 45' ' ' ARG . 5.8 t80 -64.56 -56.01 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 1.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.539 ' CE2' HG21 ' B' ' 51' ' ' ILE . 1.8 m-85 -50.6 -26.07 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.88 -67.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.19 -27.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 1.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.77 -44.92 12.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' B' ' 55' ' ' TYR . 1.1 mt -57.31 -21.71 36.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -21.02 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 tp -99.92 109.05 54.67 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 1.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' B' ' 85' ' ' SER . 0.2 OUTLIER -129.44 -176.22 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -120.52 88.14 2.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' B' ' 84' ' ' VAL . 92.6 t -92.34 137.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -176.96 142.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.463 HD12 ' CD2' ' B' ' 80' ' ' PHE . 0.2 OUTLIER -59.77 149.1 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.488 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 14.2 t -160.58 26.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.458 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.2 OUTLIER -142.37 -96.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 110.304 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -163.18 172.51 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 1.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.478 ' HA ' ' CB ' ' B' ' 80' ' ' PHE . 58.2 t -127.01 112.6 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.86 81.87 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.517 ' C ' ' CG2' ' B' ' 74' ' ' VAL . . . -81.57 152.72 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.517 ' CG2' ' C ' ' B' ' 73' ' ' ALA . 0.1 OUTLIER -171.01 -162.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -39.78 98.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' B' ' 75' ' ' ALA . 0.7 OUTLIER 36.92 47.35 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 1.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.447 ' O ' ' SD ' ' B' ' 7' ' ' MET . 16.7 mt-10 -142.97 149.96 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 1.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -152.06 93.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.98 96.46 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.2 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.568 ' CE1' HG11 ' B' ' 11' ' ' VAL . 35.4 p90 -114.28 161.92 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 1.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.466 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -115.56 130.37 56.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.599 ' CE1' ' OD2' ' B' ' 99' ' ' ASP . 48.1 p90 -133.05 169.41 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 1.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.488 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.23 170.61 7.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 1.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' B' ' 65' ' ' VAL . 0.1 OUTLIER -161.68 114.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.355 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 21.2 t -94.51 110.77 22.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -126.74 149.22 49.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -122.18 113.34 19.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.266 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.06 139.2 53.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 1.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 48.89 50.33 17.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 1.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.24 34.53 53.72 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.5 1.125 . . . . 1.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -136.24 117.57 14.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.625 0.838 . . . . 1.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 148.96 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.587 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 8.4 m -156.55 147.22 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.472 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.07 93.86 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.416 HG11 ' N ' ' B' ' 96' ' ' ALA . 79.4 t -81.57 145.98 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 1.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' B' ' 120' ' ' ASN . . . -126.92 72.46 75.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.627 ' CB ' ' CZ ' ' B' ' 116' ' ' PHE . 18.3 Cg_endo -74.99 165.45 31.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.821 . . . . 1.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.466 HG12 ' CB ' ' B' ' 81' ' ' ALA . 5.4 mt -116.39 118.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 109.358 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.599 ' OD2' ' CE1' ' B' ' 82' ' ' PHE . 0.6 OUTLIER -92.68 137.62 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -132.4 104.32 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.61 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.514 ' CD2' HG23 ' B' ' 11' ' ' VAL . 13.3 m-30 -109.15 136.63 48.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.546 ' NE ' ' CB ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -120.23 132.44 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.576 ' CE1' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -87.89 147.06 25.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -162.66 -167.03 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 1.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.98 -151.52 51.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.571 1.169 . . . . 1.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.39 -16.1 63.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 1.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 136.41 74.26 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 1.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.525 ' HA ' ' CE2' ' B' ' 103' ' ' PHE . 0.9 OUTLIER -167.07 158.73 12.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.779 . . . . 1.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.576 HG21 ' CE1' ' B' ' 103' ' ' PHE . 4.5 t -73.81 124.58 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 1.0 109.218 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.472 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 97.9 t -125.38 -44.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.377 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' SER . . . . . 0.546 ' CB ' ' NE ' ' B' ' 102' ' ' ARG . 3.1 m -93.71 117.97 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.44 ' HE2' ' CB ' ' B' ' 34' ' ' ALA . 0.0 OUTLIER -131.11 124.52 30.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 111.063 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -146.07 144.44 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' B' ' 38' ' ' ASP . . . -114.29 177.59 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.469 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -153.17 107.48 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -105.38 -172.89 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.525 ' N ' ' NH2' ' A' ' 72' ' ' ARG . . . 170.98 -173.38 44.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 1.0 111.059 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 15.2 mt-10 -115.43 53.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 1.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -147.16 23.83 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.693 HD22 ' NH2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -163.16 50.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 109.239 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.587 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 4.0 mp -134.0 136.96 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -124.65 99.49 6.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 1.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.97 171.15 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.04 173.42 35.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.118 . . . . 1.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.46 0.171 . . . . 1.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 11.1 t30 63.67 79.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 1.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -147.13 154.24 46.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.91 -29.16 8.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 4.5 mt-10 -69.46 -45.91 67.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 2.8 t-160 -68.59 -48.55 63.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.553 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 71.1 mtm -62.08 -62.24 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 37.2 m -51.76 -41.32 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -58.02 -47.97 81.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.5 t -57.07 -42.43 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 80' ' ' PHE . 4.4 t -57.85 -44.26 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 1.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -62.29 -40.57 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -35.3 79.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.456 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.4 t80 -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.19 -49.3 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 1.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.27 -60.71 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -56.95 -23.01 42.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 1.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.56 -34.72 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.05 21.21 33.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 1.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.506 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 73.2 m-20 -83.1 91.89 7.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 0.722 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -48.03 -43.73 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 1.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.19 -57.79 17.99 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 1.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.623 ' CG2' ' CE1' ' A' ' 55' ' ' TYR . 23.5 mt -51.7 -29.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -76.2 -33.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.59 58.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.146 . . . . 1.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -56.27 -47.19 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 12.8 p90 -106.82 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.4 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.354 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.456 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 0.0 OUTLIER -105.14 -17.8 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 29.41 7.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -77.66 173.92 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.5 p -120.62 118.79 31.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 51' ' ' ILE . 65.0 t -97.52 137.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 5.0 mt-10 -120.65 61.72 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.546 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 2.8 t70 -109.91 136.76 20.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -75.05 -36.68 2.51 Favored 'Cis proline' 0 C--N 1.361 1.231 0 C-N-CA 120.946 -2.523 . . . . 1.0 111.031 0.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.462 HG23 ' CG1' ' B' ' 74' ' ' VAL . 1.9 t -133.85 -173.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -54.03 -18.64 9.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 1.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -58.22 85.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 1.0 110.081 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLY . 15.8 mm-40 76.86 83.0 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -74.98 -179.06 4.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 1.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 54' ' ' PHE . 2.0 mtt180 -144.14 147.15 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.6 p -137.73 141.82 41.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.76 152.32 25.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.562 1.164 . . . . 1.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 32' ' ' ASP . 2.3 p -63.67 -13.07 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 1.0 110.433 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.72 -65.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 45' ' ' ARG . . . -68.84 -38.3 79.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 1.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.572 HG22 ' CE1' ' A' ' 30' ' ' PHE . 74.6 mt -57.61 -60.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 12.4 ttm180 -58.83 -38.65 79.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.173 . . . . 1.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.05 -49.2 69.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -73.13 -60.29 2.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 1.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.623 ' CE1' ' CG2' ' A' ' 26' ' ' ILE . 1.5 m-85 -48.3 -23.28 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 1.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -84.44 -51.53 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 1.9 m120 -62.17 -14.51 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -55.03 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.92 -16.01 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 1.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -62.16 -17.38 57.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 63' ' ' LEU . 12.4 tp -90.55 113.08 56.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 92.45 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 1.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' CD2' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -122.97 -175.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.42 93.83 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.438 HG12 ' CD2' ' A' ' 82' ' ' PHE . 24.7 t -89.69 141.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' N ' HG11 ' A' ' 65' ' ' VAL . 7.6 tt0 -160.71 143.18 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.0 110.315 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.35 160.57 32.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.479 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.7 OUTLIER 178.15 49.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -161.16 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 1.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 179.63 167.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.273 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 99.9 t -126.64 118.5 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.752 ' NH2' HD22 ' B' ' 120' ' ' ASN . 0.9 OUTLIER -89.23 81.92 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 77' ' ' GLU . . . -91.17 123.29 34.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -142.27 -146.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -42.91 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ALA . 77.2 m-20 35.42 35.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 1.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' OE1' ' CD2' ' B' ' 115' ' ' LEU . 6.5 mt-10 -125.63 161.19 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.33 95.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 1.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.514 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . . . -110.8 94.53 5.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 99' ' ' ASP . 43.2 p90 -111.94 161.39 16.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -114.6 121.13 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 33.7 p90 -125.23 169.2 12.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -107.15 159.16 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 1.0 110.374 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.553 ' CG1' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -137.51 110.15 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 m -92.41 119.24 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.071 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 93' ' ' THR . 1.2 p90 -140.86 149.35 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -114.01 118.83 35.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 1.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.508 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -93.78 -173.4 3.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 1.0 111.002 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -47.01 92.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 1.0 110.296 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 52.9 49.02 56.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 1.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -158.11 155.6 29.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 1.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 mtpm? -126.65 134.51 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 1.9 m -149.84 149.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 110.472 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -131.11 116.29 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.249 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' A' ' 121' ' ' ILE . 68.1 t -94.11 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 95' ' ' VAL . . . -138.27 71.46 46.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.9 mt -116.25 121.42 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.56 125.6 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.514 ' CD2' ' HB3' ' A' ' 79' ' ' ALA . 18.5 t-160 -122.75 110.6 15.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -110.35 147.36 34.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.497 1.123 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.68 102.59 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 1.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.614 ' CE1' ' CG2' ' A' ' 109' ' ' VAL . 3.2 m-85 -69.37 161.73 28.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 173.61 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.87 -116.81 5.47 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.509 1.13 . . . . 1.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -122.2 17.78 10.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 0.729 . . . . 1.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.54 42.97 0.52 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 1.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 161.81 42.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 1.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.614 ' CG2' ' CE1' ' A' ' 103' ' ' PHE . 12.9 t -85.83 118.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.469 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 71.3 t -114.8 -10.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 1.0 109.259 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.46 131.21 51.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.3 mtp -145.58 142.46 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 162.98 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.321 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' PRO . . . -139.63 170.88 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.428 HD21 ' CB ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -145.92 98.16 3.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 1.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 97' ' ' PRO . 8.7 m-85 -105.32 125.87 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -116.15 172.74 14.37 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.554 1.159 . . . . 1.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -96.15 -19.81 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 1.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -88.23 13.08 12.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 1.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.456 ' CG ' ' NH2' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -125.1 40.17 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.546 HG12 ' CG2' ' A' ' 95' ' ' VAL . 8.8 mt -133.15 138.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -124.3 115.0 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.605 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.43 160.09 25.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.65 178.63 40.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 1.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.46 ' HA ' ' CD ' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 1.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.504 0.193 . . . . 1.0 111.047 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.449 ' OD1' ' CB ' ' B' ' 106' ' ' ALA . 15.3 m-80 -67.6 104.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -159.11 155.32 23.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 1.0 110.447 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -59.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 1.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -43.03 -35.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 1.0 110.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.462 ' HB2' ' CG2' ' B' ' 3' ' ' THR . 8.0 t60 -76.13 -53.63 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 109.605 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.444 ' HB3' ' CB ' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -47.8 -43.77 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 1.0 111.097 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -71.05 -52.97 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.6 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.7 -53.21 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.288 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' B' ' 80' ' ' PHE . 96.5 t -46.49 -41.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 109.374 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -52.07 48.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -54.16 -34.34 60.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.4 -58.53 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 t -50.5 -49.98 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.61 -59.44 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.78 -33.35 10.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 7.0 tp -65.77 -54.56 25.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -65.2 -13.63 58.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.74 4.44 53.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 1.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 23' ' ' LEU . . . 62.07 12.31 36.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.599 1.187 . . . . 1.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' B' ' 26' ' ' ILE . 10.1 t0 -65.52 75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.471 ' CD1' ' HB1' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -64.97 -62.88 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.208 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.62 -52.76 36.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.591 1.182 . . . . 1.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.597 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 28.6 mt -57.82 -36.64 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 0.716 . . . . 1.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.577 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 10.9 t -69.36 -26.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 1.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.33 -18.9 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -52.39 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 14.9 p90 -102.91 -178.53 3.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.45 ' CB ' HG23 ' B' ' 110' ' ' VAL . . . -49.29 176.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.01 -17.02 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' B' ' 33' ' ' ASP . 13.3 p-10 -119.07 23.35 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -68.24 165.38 18.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.2 p -115.26 140.56 48.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 1.197 . . . . 1.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' B' ' 54' ' ' PHE . 2.5 t -124.21 140.44 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.495 ' OE1' ' CA ' ' B' ' 44' ' ' PRO . 7.3 tp10 -128.69 76.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.625 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -138.88 146.8 51.54 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 1.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.625 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -74.97 -73.93 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.049 -2.48 . . . . 1.0 111.04 -0.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.504 ' CG2' ' C ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -157.06 152.85 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 1.0 109.241 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.602 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 148.39 -54.02 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.602 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.6 m 151.44 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 1.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' B' ' 42' ' ' SER . 7.5 pt-20 42.42 86.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 1.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.495 ' CA ' ' OE1' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -75.02 -167.2 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.772 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.72 177.66 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.63 1.206 . . . . 1.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' B' ' 50' ' ' ALA . 81.3 p -179.45 159.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.47 164.96 22.72 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.454 1.096 . . . . 1.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' B' ' 52' ' ' ARG . 2.8 p -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 1.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.3 -48.71 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 1.179 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 46' ' ' SER . . . -60.48 -52.31 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' CE1' ' B' ' 30' ' ' PHE . 52.2 mt -59.43 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 18.4 ttp180 -46.43 -41.76 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 17.9 tp10 -67.02 -40.32 87.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' B' ' 36' ' ' VAL . 1.4 t80 -66.0 -62.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.503 ' CE2' HG23 ' B' ' 26' ' ' ILE . 24.2 m-85 -56.31 -56.07 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -51.98 -53.64 39.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 23.4 t-20 -55.24 -36.94 66.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -60.87 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -56.66 -21.15 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -44.86 -26.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.469 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.9 tp -85.98 139.74 34.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.08 62.64 5.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 1.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.37 -175.85 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.03 108.53 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.458 HG12 ' CE2' ' B' ' 82' ' ' PHE . 26.7 t -81.17 143.39 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.06 150.15 33.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -85.2 149.69 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.515 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.7 t -179.42 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.424 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.6 OUTLIER -155.76 -150.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.453 ' OE1' ' ND2' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 1.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 90.8 t -130.32 103.55 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.456 ' NH2' ' CG ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -75.44 83.44 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' B' ' 7' ' ' MET . . . -97.57 109.13 21.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 1.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.462 ' CG1' HG23 ' A' ' 40' ' ' VAL . 1.1 p -169.23 162.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.21 50.81 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.63 32.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.558 ' HB2' ' CE1' ' B' ' 101' ' ' PHE . . . -143.71 113.28 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' B' ' 100' ' ' HIS . . . -125.94 97.88 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 1.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.565 ' CD1' HG12 ' B' ' 11' ' ' VAL . 32.0 p90 -115.73 168.03 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.484 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -122.46 126.94 48.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.523 ' CD1' ' CE2' ' B' ' 80' ' ' PHE . 36.1 p90 -131.15 177.23 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.515 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.3 OUTLIER -113.64 162.81 15.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.488 HG11 ' CD ' ' B' ' 97' ' ' PRO . 0.7 OUTLIER -138.46 125.21 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 1.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.25 115.88 30.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.927 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' B' ' 95' ' ' VAL . 3.3 p90 -137.84 141.08 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -105.25 121.61 44.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.297 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -94.85 -173.95 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 110.984 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -46.72 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 51.8 47.21 53.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 1.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -158.15 163.15 37.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 1.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -126.52 138.29 53.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.583 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 68.3 m -146.97 144.96 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -128.22 116.27 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.573 HG22 ' CE1' ' B' ' 86' ' ' PHE . 60.5 t -96.57 165.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -136.91 71.87 55.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.488 ' CD ' HG11 ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.98 161.28 39.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 1.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.484 HG12 ' CB ' ' B' ' 81' ' ' ALA . 1.3 mt -115.09 117.59 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.424 ' CB ' ' CE1' ' B' ' 80' ' ' PHE . 1.3 m-20 -92.77 134.65 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.418 ' CD2' ' HB3' ' B' ' 79' ' ' ALA . 4.1 t-80 -146.79 117.82 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' B' ' 78' ' ' ALA . 1.3 p90 -140.8 164.68 29.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.465 ' O ' ' CG1' ' B' ' 109' ' ' VAL . 0.6 OUTLIER -113.53 156.86 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.23 134.38 48.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' B' ' 110' ' ' VAL . 1.7 t30 -88.76 130.23 35.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.438 ' C ' ' N ' ' B' ' 107' ' ' GLY . . . 45.74 30.61 3.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 1.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . 0.449 ' CB ' ' OD1' ' B' ' 2' ' ' ASN . . . 40.4 29.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.617 0.834 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' B' ' 105' ' ' GLY . . . -120.07 -36.95 0.78 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.49 1.119 . . . . 1.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -159.64 142.18 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 1.0 109.3 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' B' ' 102' ' ' ARG . 2.6 t -69.93 132.7 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 1.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.497 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 55.4 t -127.87 4.84 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 1.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.4 t -157.22 136.72 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 1.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.49 ' CB ' ' HB3' ' B' ' 101' ' ' PHE . 6.3 ptp -152.15 154.05 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 -151.56 152.03 32.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 1.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.41 155.43 43.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 1.0 109.387 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -139.03 111.97 7.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -96.01 -176.03 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' B' ' 121' ' ' ILE . . . -156.16 175.5 33.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 1.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -103.53 -33.75 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 1.0 110.342 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -88.68 13.05 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.356 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.752 HD22 ' NH2' ' A' ' 72' ' ' ARG . 1.4 m-80 -113.09 32.38 5.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.583 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 5.0 mp -131.84 137.38 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . 0.526 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -128.51 103.15 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 109.554 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.89 168.29 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 1.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 170.52 174.61 38.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 1.0 109.347 -179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' CB ' ' CE1' ' A' ' 103' ' ' PHE . 17.6 mmm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.55 0.214 . . . . 1.0 111.028 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 0.5 OUTLIER -145.98 54.6 1.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 1.0 109.271 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 6' ' ' HIS . 1.2 t -135.45 149.17 68.76 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' O ' ' OG1' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.1 -36.45 2.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 1.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.94 72.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.47 ' CB ' HG21 ' A' ' 3' ' ' THR . 2.4 t-160 -66.68 -47.06 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.396 1.06 . . . . 1.0 109.619 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 77' ' ' GLU . 14.4 mtm -51.59 -50.7 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 4' ' ' PRO . 8.4 m -61.37 -47.22 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -34.61 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.23 -40.73 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 109.359 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.446 HG12 ' CG ' ' A' ' 80' ' ' PHE . 10.7 t -58.16 -46.8 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -62.72 -62.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 1.0 110.35 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -42.18 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.564 ' OH ' ' CZ ' ' A' ' 55' ' ' TYR . 60.9 t80 -61.71 -56.26 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -46.03 -44.62 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.39 -59.51 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.09 15.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 23.5 tp -68.25 -57.25 6.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 65' ' ' VAL . 2.5 t30 -60.31 -16.58 35.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.94 26.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.94 31.99 41.64 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.452 1.095 . . . . 1.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -94.29 59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 0.83 . . . . 1.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 6.1 mt -40.03 -32.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -69.61 -64.04 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . -47.72 -43.44 22.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 1.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 46.9 mt -65.1 -40.94 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 1.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 24.1 t -66.97 -21.61 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 1.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.41 -21.53 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -62.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 1.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 27.7 p90 -91.15 -174.37 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' PHE . . . -48.51 176.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' CG2' ' A' ' 48' ' ' THR . 4.6 m-20 -102.75 -17.51 15.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 1.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -116.06 7.45 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -45.48 168.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 1.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.1 p -130.63 125.8 34.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.451 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 51' ' ' ILE . 46.7 t -103.21 143.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 1.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -135.32 52.86 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 1.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.503 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -114.03 139.04 23.16 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.98 -65.78 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.975 -2.51 . . . . 1.0 111.054 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.483 ' CG2' ' CG1' ' B' ' 74' ' ' VAL . 1.4 t -139.52 176.52 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 117.0 83.05 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.107 . . . . 1.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 41' ' ' GLY . 20.2 p -27.36 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.5 mt-10 159.38 71.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.05 147.17 33.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.542 1.812 . . . . 1.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.504 ' NE ' ' CZ ' ' A' ' 54' ' ' PHE . 1.8 mmt85 -98.94 120.96 40.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 1.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.6 p -95.58 150.28 20.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 1.0 109.943 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 153.26 27.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 1.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 30.4 p -67.75 -22.97 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 1.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -72.58 -57.89 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 45' ' ' ARG . . . -63.23 -41.23 99.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 36' ' ' VAL . 58.7 mt -64.94 -67.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -50.05 -31.49 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.3 mm-40 -62.4 -57.48 11.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 1.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CZ ' ' NE ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -56.63 -56.98 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.564 ' CZ ' ' OH ' ' A' ' 14' ' ' TYR . 10.6 m-85 -58.73 -26.2 63.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 1.0 111.062 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -72.7 -55.14 7.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -52.96 -38.71 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.2 m -69.35 -56.41 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -54.71 -19.86 7.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -40.96 -29.05 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.547 1.154 . . . . 1.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.674 ' CD1' ' CD1' ' A' ' 88' ' ' TYR . 9.6 tp -96.41 135.91 22.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.91 58.55 4.86 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.488 1.783 . . . . 1.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.532 HD23 ' CE1' ' A' ' 86' ' ' PHE . 3.5 pp -80.78 -175.68 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.15 106.44 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.441 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 42.9 t -84.38 155.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 1.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' LEU . 30.5 tt0 -162.47 160.2 25.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -97.65 154.0 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.495 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER -159.78 -48.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.35 -98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 178.57 -178.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.478 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 67.1 t -122.27 144.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.409 HH11 ' ND2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -122.86 96.27 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -91.49 136.67 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.47 HG13 ' CG1' ' B' ' 40' ' ' VAL . 1.5 t -139.73 -146.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.444 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . -48.63 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.269 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' VAL . 66.1 m-80 40.51 29.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.083 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -122.61 159.86 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -150.77 109.01 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 100' ' ' HIS . . . -122.92 111.42 16.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.077 . . . . 1.0 109.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 71' ' ' VAL . 17.5 p90 -126.0 165.0 19.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -117.36 119.96 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.3 p90 -120.27 169.86 9.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -110.65 154.3 24.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 110.439 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.724 ' CG2' ' CE2' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -135.27 128.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' THR . 3.5 t -108.17 98.0 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.724 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 60.1 m-85 -82.36 159.25 23.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -155.74 94.72 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 1.0 110.227 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -133.51 127.66 33.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 49.54 55.83 8.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 1.0 110.267 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.53 25.5 55.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 1.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -110.8 98.42 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 1.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -94.99 119.48 33.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 1.0 109.354 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 85' ' ' SER . 4.8 m -125.35 153.62 43.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 1.0 110.369 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 1.1 t -131.42 105.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 1.0 109.229 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 121' ' ' ILE . 46.9 t -104.5 167.02 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.451 ' O ' ' ND2' ' A' ' 120' ' ' ASN . . . -139.12 71.15 40.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 1.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 156.31 42.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.464 HG12 ' CB ' ' A' ' 81' ' ' ALA . 5.3 mt -109.77 116.9 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.409 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -98.82 133.64 42.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 113' ' ' ARG . 14.8 p-80 -143.66 125.42 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.648 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.52 177.13 8.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.4 120.6 34.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.586 ' CD2' ' CG2' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -92.83 123.04 35.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 2.9 m-20 154.61 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.47 ' HA3' ' CG2' ' A' ' 110' ' ' VAL . . . 37.72 29.62 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 1.0 110.984 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' ASN . . . 41.66 28.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.749 . . . . 1.0 109.269 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -169.44 29.68 0.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 5.0 tttm 91.55 -163.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.753 . . . . 1.0 109.376 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.586 ' CG2' ' CD2' ' A' ' 103' ' ' PHE . 17.2 t -68.78 124.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.482 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 48.7 t -118.76 -78.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 1.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.22 130.07 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 1.0 109.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' GLU . 25.3 ttm -150.86 131.75 14.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 100' ' ' HIS . 10.4 ttp-105 -150.78 152.76 34.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 1.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.472 ' HB1' ' CB ' ' A' ' 38' ' ' ASP . . . -119.6 170.55 9.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.434 ' CD1' ' CE1' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -151.39 103.21 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 1.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -116.34 128.32 55.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.06 -173.12 30.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -107.03 16.13 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 1.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.81 28.51 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 96' ' ' ALA . 1.1 m-20 -145.87 36.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 1.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 95' ' ' VAL . 6.1 mt -131.06 136.81 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 1.0 OUTLIER -131.38 89.54 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.58 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.58 152.34 28.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.47 176.95 46.79 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.562 1.163 . . . . 1.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 1.0 109.277 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' B' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.524 0.202 . . . . 1.0 111.028 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.5 86.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.365 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.433 ' CG2' ' SD ' ' B' ' 1' ' ' MET . 10.9 p -127.47 155.32 76.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.67 6.86 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 1.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.04 -49.13 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -69.15 -45.14 70.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 1.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.686 ' CG ' ' CZ ' ' B' ' 103' ' ' PHE . 0.0 OUTLIER -54.62 -52.35 62.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 110.952 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -60.03 -48.29 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 1.0 110.45 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.37 -41.4 51.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.05 -42.01 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 1.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.435 HG21 ' CZ ' ' B' ' 101' ' ' PHE . 3.2 t -56.99 -45.47 83.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.6 -43.38 97.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 1.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -35.86 81.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -65.69 -49.6 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 111.011 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.49 -60.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.93 -46.92 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 1.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.47 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 21.3 tp -58.98 -57.24 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.37 -21.8 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.3 -24.34 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 79.43 27.38 55.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.521 1.138 . . . . 1.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.502 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 3.7 t0 -82.57 96.37 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 0.819 . . . . 1.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.35 -72.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -48.82 -40.4 29.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.55 -64.19 3.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 55.0 mt -45.66 -40.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.576 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 12.6 t -64.37 -39.78 86.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 1.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.94 -15.9 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tt -63.4 -44.63 94.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 3.3 p90 -114.53 -178.71 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 1.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' B' ' 109' ' ' VAL . . . -47.61 173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.82 -10.07 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -120.68 9.43 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.45 162.04 2.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 1.0 109.237 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 62.2 p -125.52 129.14 49.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 1.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.468 ' CG2' HG12 ' B' ' 51' ' ' ILE . 44.6 t -105.06 145.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 8.6 tt0 -128.64 66.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 6.1 p-10 -144.91 134.65 11.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.491 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -75.04 -144.56 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.012 -2.495 . . . . 1.0 111.003 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' B' ' 114' ' ' ALA . 17.3 t -103.44 171.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.07 25.87 4.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 1.0 110.945 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p 69.93 178.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 1.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.2 65.14 0.46 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 1.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.27 146.64 44.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -144.24 136.31 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.056 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.7 160.55 23.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 1.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' B' ' 52' ' ' ARG . 2.6 p -67.83 -34.63 77.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 1.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.67 88.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.21 -63.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' B' ' 36' ' ' VAL . 84.1 mt -46.69 -38.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 48' ' ' THR . 9.3 ttt-85 -76.93 -35.43 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.43 -40.98 98.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 0.1 OUTLIER -74.99 -51.43 13.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 110.929 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.494 ' O ' ' CG ' ' B' ' 59' ' ' LEU . 6.9 m-85 -61.48 -25.11 67.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 1.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -81.34 -69.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -44.88 -29.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 44.2 m -83.77 -41.5 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.494 ' CG ' ' O ' ' B' ' 55' ' ' TYR . 6.0 mt -60.72 -20.17 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -48.78 -24.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.2 tp -106.58 140.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 17.8 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 1.0 110.955 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' B' ' 86' ' ' PHE . 13.4 mt -54.45 151.18 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.189 . . . . 1.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . 0.47 ' HB2' ' CB ' ' B' ' 85' ' ' SER . . . -113.48 60.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.419 HG11 ' N ' ' B' ' 66' ' ' GLU . 72.0 t -75.81 145.33 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.419 ' N ' HG11 ' B' ' 65' ' ' VAL . 3.5 tt0 179.38 126.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.495 ' HA ' ' CB ' ' B' ' 82' ' ' PHE . 0.4 OUTLIER -66.37 148.29 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.498 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.4 t -172.43 44.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 1.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.475 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 3.6 mt-30 -144.01 -95.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 1.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -151.01 156.41 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 1.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.766 ' H ' ' NH2' ' B' ' 72' ' ' ARG . 44.4 t -129.0 99.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.766 ' NH2' ' H ' ' B' ' 71' ' ' VAL . 5.5 mmp_? -83.67 100.41 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 1.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.417 ' CB ' ' HE1' ' B' ' 7' ' ' MET . . . -100.66 133.75 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' B' ' 76' ' ' ASN . 1.3 t -145.67 -149.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' B' ' 77' ' ' GLU . . . -45.31 91.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.1 OUTLIER 35.79 34.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 75' ' ' ALA . 1.5 mt-10 -133.08 108.39 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -107.95 121.44 44.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.436 ' HB3' ' CD2' ' B' ' 100' ' ' HIS . . . -130.65 108.04 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' B' ' 71' ' ' VAL . 15.0 p90 -125.38 162.36 24.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.475 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -109.88 135.67 50.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 109.37 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' HG2' ' B' ' 97' ' ' PRO . 49.0 p90 -137.85 166.09 24.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -103.83 160.72 14.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.43 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.516 ' CG1' ' CD ' ' B' ' 97' ' ' PRO . 0.2 OUTLIER -144.49 100.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 1.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -90.97 125.8 35.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 1.0 109.957 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 3.7 p90 -139.35 145.34 38.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -109.14 136.71 48.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 1.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' B' ' 89' ' ' GLN . 0.2 OUTLIER -119.88 86.62 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 110.951 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' B' ' 88' ' ' TYR . 23.7 pt20 42.43 64.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 1.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.19 -44.27 1.55 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 1.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.83 143.36 56.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 1.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -132.62 105.14 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.563 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 51.7 m -121.69 158.97 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 1.0 110.386 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.7 OUTLIER -141.06 117.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' B' ' 121' ' ' ILE . 21.4 t -95.06 169.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.22 68.83 15.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.554 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 162.71 36.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.427 HG12 ' CB ' ' B' ' 81' ' ' ALA . 39.8 mt -113.73 117.4 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 140.77 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 1.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.438 ' NE2' ' OE1' ' B' ' 77' ' ' GLU . 4.2 t-80 -151.99 113.22 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.652 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.435 ' CZ ' HG21 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -133.18 158.29 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 1.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.72 129.96 56.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.686 ' CZ ' ' CG ' ' B' ' 7' ' ' MET . 3.1 p90 -162.75 156.71 20.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 111.041 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -105.13 121.1 43.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 1.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -37.6 -68.95 0.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.145 . . . . 1.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.47 52.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.23 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.577 ' O ' ' CB ' ' B' ' 108' ' ' LYS . . . -161.63 -84.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.599 1.187 . . . . 1.0 110.997 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' B' ' 107' ' ' GLY . 0.0 OUTLIER 157.99 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 1.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.558 ' CG2' ' CB ' ' B' ' 103' ' ' PHE . 7.5 t -106.92 125.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 1.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.62 -12.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' SER . . . . . 0.798 ' HG ' ' NH2' ' B' ' 113' ' ' ARG . 0.5 OUTLIER -137.7 141.05 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.041 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.402 ' SD ' ' OH ' ' B' ' 55' ' ' TYR . 9.1 ttm -157.38 141.32 16.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.798 ' NH2' ' HG ' ' B' ' 111' ' ' SER . 0.4 OUTLIER -142.6 169.64 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 1.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' B' ' 40' ' ' VAL . . . -146.04 118.04 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.55 103.95 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.591 ' C ' ' CD1' ' B' ' 116' ' ' PHE . 0.0 OUTLIER -111.76 179.32 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -161.87 178.11 37.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 1.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.449 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 19.6 mp0 -97.29 -16.62 20.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -88.99 14.18 11.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.409 ' ND2' HH11 ' A' ' 72' ' ' ARG . 0.6 OUTLIER -124.35 31.71 5.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' B' ' 95' ' ' VAL . 7.7 mt -126.28 137.13 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.223 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -127.15 104.49 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.639 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.65 148.97 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.84 -179.53 45.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.458 1.099 . . . . 1.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.311 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.453 0.168 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' ND2' ' OD1' ' A' ' 76' ' ' ASN . 15.9 m120 -118.04 102.61 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -111.04 156.05 41.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 1.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' OG1' ' A' ' 8' ' ' THR . 18.5 Cg_endo -75.0 -30.49 7.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 1.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.7 -41.78 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 1.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -69.59 -48.12 61.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -53.85 49.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 4' ' ' PRO . 10.6 m -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -39.15 78.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.96 -49.39 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.245 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.557 HG12 ' CD2' ' A' ' 80' ' ' PHE . 25.1 t -56.34 -39.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 1.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 1.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -35.49 79.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 2.7 t80 -66.18 -42.23 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.472 1.108 . . . . 1.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -58.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.15 70.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 1.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.2 -55.79 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.0 -32.6 69.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.0 109.358 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.13 -19.64 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 1.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.29 47.33 36.87 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.532 1.145 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 2.9 t0 -98.03 90.56 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 1.0 109.371 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 42.2 mt -67.46 -50.15 60.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.96 -57.09 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.41 -50.32 48.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.605 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 75.7 mt -60.48 -35.87 65.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.509 0.77 . . . . 1.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.566 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 40.9 t -70.88 -24.4 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -20.56 25.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.8 mt -53.86 -40.79 66.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.391 1.057 . . . . 1.0 109.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.3 p90 -115.77 179.88 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 110' ' ' VAL . . . -48.68 175.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.31 -18.42 18.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -115.5 13.32 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.71 165.82 2.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.409 1.068 . . . . 1.0 109.317 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.5 p -120.62 143.38 48.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.549 1.156 . . . . 1.0 110.435 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 54' ' ' PHE . 2.5 t -125.22 140.9 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.361 1.038 . . . . 1.0 109.232 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.63 94.37 2.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.661 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -143.24 136.93 14.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.661 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.02 -82.02 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.938 -2.526 . . . . 1.0 110.992 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 ' CG2' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -156.81 156.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 1.0 109.325 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 133.6 -44.77 1.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 1.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 155.91 -178.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 1.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 7.4 tt0 66.97 63.35 0.79 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.0 -169.96 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -143.24 155.83 44.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 1.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.0 p -156.17 136.21 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 1.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 102.19 124.4 5.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 1.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -28.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 1.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.22 -57.92 8.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 109.368 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.92 85.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 30' ' ' PHE . 36.5 mt -61.89 -36.65 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' CD ' HG22 ' A' ' 27' ' ' VAL . 13.1 mmm-85 -68.68 -60.24 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 1.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.86 -31.16 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CE2' HG13 ' A' ' 36' ' ' VAL . 2.4 t80 -68.79 -68.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.445 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 11.3 m-85 -53.33 -27.89 25.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -59.8 3.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -53.38 -33.0 51.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -58.74 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 1.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.73 -20.86 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -21.78 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.7 tp -90.33 129.67 44.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 1.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 93.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 1.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -137.67 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.29 103.22 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 1.0 109.226 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.8 t -86.15 143.84 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 1.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' O ' ' OG1' ' A' ' 83' ' ' THR . 3.0 tt0 -163.4 135.64 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 1.0 110.363 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 81' ' ' ALA . 3.8 mt -69.97 175.5 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.4 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -72.72 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 1.0 110.271 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.7 176.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 65.1 t -121.92 137.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.504 ' CZ ' ' CG ' ' B' ' 120' ' ' ASN . 1.4 tpt85 -110.17 86.96 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 1.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.09 130.68 40.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 1.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.496 ' CG1' HG22 ' B' ' 40' ' ' VAL . 1.4 t -146.57 -147.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -49.53 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.445 ' OD1' ' ND2' ' A' ' 2' ' ' ASN . 30.7 m-80 37.62 41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.07 156.68 47.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.56 89.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.479 1.112 . . . . 1.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.565 ' HB1' ' CD2' ' A' ' 100' ' ' HIS . . . -108.19 105.55 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 1.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 99' ' ' ASP . 35.8 p90 -117.89 155.82 29.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 1.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -111.4 124.63 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 1.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 48.5 p90 -127.11 167.24 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.459 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -105.42 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 1.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.459 ' CG1' ' C ' ' A' ' 83' ' ' THR . 0.7 OUTLIER -152.28 122.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 t -103.34 121.01 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.562 ' CE1' HG22 ' A' ' 95' ' ' VAL . 3.6 p90 -140.72 146.27 37.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.22 120.41 41.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 1.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -96.66 -173.45 2.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 1.0 111.025 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -42.98 92.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 50.64 54.04 22.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 1.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.442 ' HG3' ' CB ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -169.36 171.12 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 1.0 110.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.02 151.91 51.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 40.9 m -153.75 145.25 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 1.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 t -123.7 104.57 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 1.0 109.242 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 86' ' ' PHE . 92.7 t -93.39 148.62 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.2 72.7 65.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.02 163.57 35.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.59 1.837 . . . . 1.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.554 HG23 ' CE1' ' A' ' 100' ' ' HIS . 21.7 mt -117.8 120.33 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -92.82 131.47 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.565 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 31.7 m80 -112.1 126.72 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -116.88 135.01 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 111.019 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -123.74 108.58 12.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 1.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -83.09 157.2 22.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 177.37 -176.66 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.42 84.5 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.43 1.081 . . . . 1.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 70.71 -61.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 108' ' ' LYS . . . 165.43 71.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 1.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 7.3 mttm -159.38 146.24 16.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 0.784 . . . . 1.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.571 HG21 ' CE2' ' A' ' 103' ' ' PHE . 2.5 t -72.23 121.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 31' ' ' ALA . 49.2 t -120.04 0.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -152.32 139.4 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.054 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.55 ' HE3' ' CD2' ' A' ' 30' ' ' PHE . 4.6 ptp -153.3 133.16 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 1.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.417 ' NE ' HG11 ' A' ' 40' ' ' VAL . 27.7 ttt180 -132.14 131.66 42.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 1.0 110.249 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -106.07 123.06 47.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 109.373 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 0.3 OUTLIER -107.34 134.6 50.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -95.65 -174.73 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 111.039 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.409 ' HA3' ' NH2' ' B' ' 72' ' ' ARG . . . -145.02 173.72 25.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 1.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -115.54 -34.0 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 1.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.407 ' NZ ' ' H ' ' B' ' 71' ' ' VAL . 18.7 pttm -102.49 15.0 30.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -113.17 28.17 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -123.09 139.24 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -127.27 96.57 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.17 157.85 16.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.25 -178.42 42.42 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.413 1.07 . . . . 1.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.592 0.819 . . . . 1.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.487 0.184 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.45 ' CG ' ' ND2' ' B' ' 76' ' ' ASN . 0.1 OUTLIER -87.66 91.2 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.373 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.494 ' CG2' ' CD2' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -141.04 154.17 67.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 110.46 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.403 ' O ' ' OG1' ' B' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -25.91 11.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 1.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 3.5 mt-10 -66.94 -44.83 79.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 1.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.494 ' CD2' ' CG2' ' B' ' 3' ' ' THR . 8.6 m170 -73.48 -47.1 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 1.0 109.541 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' B' ' 73' ' ' ALA . 0.1 OUTLIER -57.47 -57.07 14.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 111.006 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' B' ' 4' ' ' PRO . 16.2 m -60.18 -44.06 95.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -58.96 -35.07 72.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.21 -49.33 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 1.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.641 ' CG2' ' CD1' ' B' ' 80' ' ' PHE . 7.5 t -53.57 -43.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.66 -54.04 51.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.091 . . . . 1.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -56.51 -37.83 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.59 ' CD2' HD22 ' B' ' 18' ' ' LEU . 77.3 t80 -63.79 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.96 -40.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 1.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.98 -60.23 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' B' ' 21' ' ' GLY . . . -56.04 -28.79 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 1.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.59 HD22 ' CD2' ' B' ' 14' ' ' TYR . 4.6 mm? -67.99 -50.29 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -59.44 -32.12 69.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.03 -15.99 32.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.478 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 61.15 42.54 99.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.1 . . . . 1.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.506 ' O ' ' CD1' ' B' ' 26' ' ' ILE . 4.9 t0 -78.67 119.85 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' B' ' 56' ' ' ALA . 0.5 OUTLIER -74.57 -75.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.21 -27.93 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -66.96 -67.23 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 1.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 15.7 mt -51.1 -33.03 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 1.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 21.7 t -73.98 -31.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -81.94 -13.83 56.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -62.71 -44.72 95.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 2.0 p90 -114.0 -177.09 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -45.19 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 109.355 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.465 ' O ' ' CG2' ' B' ' 48' ' ' THR . 0.1 OUTLIER -94.26 -16.13 23.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.61 12.44 17.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' B' ' 110' ' ' VAL . . . -61.17 178.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 10.7 p -136.91 133.56 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' B' ' 54' ' ' PHE . 41.8 t -101.92 144.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.465 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 6.2 tp10 -144.2 81.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.561 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -150.05 146.45 20.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.561 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -75.1 -68.61 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.987 -2.505 . . . . 1.0 110.987 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.496 HG22 ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.04 -177.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 1.0 109.221 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.25 5.44 21.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 1.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.99 91.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 0.79 . . . . 1.0 110.072 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 179.93 65.49 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.95 39.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 1.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.507 ' HD2' ' CG ' ' B' ' 54' ' ' PHE . 0.0 OUTLIER -138.5 125.64 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.8 p -109.74 147.34 33.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.47 141.7 11.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 1.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.469 ' HB ' ' CZ ' ' B' ' 52' ' ' ARG . 1.9 p -59.49 -20.54 56.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.521 0.777 . . . . 1.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.81 -56.14 7.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' B' ' 45' ' ' ARG . . . -63.85 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' B' ' 36' ' ' VAL . 82.1 mt -65.9 -41.61 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 1.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 9.1 mtt85 -64.36 -54.12 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 1.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.84 -29.05 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 1.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' B' ' 36' ' ' VAL . 48.8 t80 -70.03 -69.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 1.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.552 ' CE2' HG22 ' B' ' 26' ' ' ILE . 32.1 m-85 -58.85 -23.99 61.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.447 1.092 . . . . 1.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -69.33 -59.15 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.454 ' ND2' ' N ' ' B' ' 58' ' ' SER . 0.9 OUTLIER -60.86 -36.97 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 1.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.454 ' N ' ' ND2' ' B' ' 57' ' ' ASN . 6.8 t -66.6 -69.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 1.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.478 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 17.4 mt -53.26 -20.03 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -39.14 -30.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 1.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 11.0 tp -88.15 139.89 30.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.01 83.88 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.76 . . . . 1.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.59 176.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.91 105.23 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.423 HG11 ' N ' ' B' ' 66' ' ' GLU . 4.6 t -79.73 140.68 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.423 ' N ' HG11 ' B' ' 65' ' ' VAL . 19.2 tt0 -163.66 115.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -73.98 146.9 43.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.562 ' N ' ' CD1' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -138.54 -43.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.485 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.9 OUTLIER -57.56 -104.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.224 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.9 -178.77 6.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 1.0 110.331 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.407 ' H ' ' NZ ' ' A' ' 119' ' ' LYS . 32.7 t -122.86 127.87 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.443 ' NE ' ' O ' ' A' ' 116' ' ' PHE . 1.6 ttm180 -102.25 76.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' B' ' 74' ' ' VAL . . . -86.94 111.5 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' B' ' 73' ' ' ALA . 2.9 t -164.81 150.12 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 51.73 63.08 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.248 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.45 ' ND2' ' CG ' ' B' ' 2' ' ' ASN . 3.1 m-20 41.14 28.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' B' ' 100' ' ' HIS . 2.4 tt0 -124.27 164.3 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -149.36 91.84 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.516 ' CB ' ' CD2' ' B' ' 100' ' ' HIS . . . -103.05 93.2 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.641 ' CD1' ' CG2' ' B' ' 11' ' ' VAL . 23.9 p90 -111.1 150.61 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.485 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -110.25 125.43 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.616 ' CD1' ' CE2' ' B' ' 80' ' ' PHE . 37.9 p90 -131.26 167.59 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 1.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -106.73 152.69 23.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 110.407 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -126.45 116.12 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 1.0 109.228 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -91.79 118.41 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 1.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.566 ' CE1' HG22 ' B' ' 95' ' ' VAL . 0.9 OUTLIER -161.36 146.14 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 1.0 111.058 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -110.6 134.68 52.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -108.89 171.19 7.58 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.534 1.146 . . . . 1.0 110.966 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.91 75.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 1.0 110.291 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.499 ' O ' ' CD ' ' B' ' 91' ' ' ARG . . . 168.7 -30.76 0.17 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.584 1.177 . . . . 1.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER 162.85 178.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 1.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -75.69 154.19 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.334 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.47 HG21 ' CG2' ' B' ' 121' ' ' ILE . 3.0 m -153.44 149.35 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -134.9 116.99 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 1.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.566 HG22 ' CE1' ' B' ' 86' ' ' PHE . 17.6 t -96.14 168.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -142.41 67.42 20.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.415 ' CD ' HG11 ' B' ' 84' ' ' VAL . 18.3 Cg_endo -75.04 162.92 36.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 1.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' B' ' 81' ' ' ALA . 7.0 mt -116.9 116.05 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.572 ' CB ' ' CE1' ' B' ' 80' ' ' PHE . 0.4 OUTLIER -90.54 135.03 33.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.516 ' CD2' ' CB ' ' B' ' 79' ' ' ALA . 4.7 t-160 -123.97 103.26 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.553 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -91.63 149.39 21.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 1.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -134.21 111.24 10.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.573 ' CD1' HG21 ' B' ' 109' ' ' VAL . 3.5 m-30 -68.13 159.39 31.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -151.5 170.75 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.07 -59.93 0.78 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.421 1.076 . . . . 1.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.86 -39.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.743 . . . . 1.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -164.78 29.26 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 1.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -121.04 118.23 29.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 1.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' B' ' 103' ' ' PHE . 3.4 t -67.8 116.58 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.403 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 70.0 t -114.71 -20.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -126.8 127.32 44.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.082 . . . . 1.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.565 ' HE2' ' CE1' ' B' ' 30' ' ' PHE . 2.1 ptt? -144.78 130.01 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 1.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -134.51 178.06 7.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 1.0 110.293 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.51 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -139.52 172.52 12.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.6 104.08 2.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.491 ' CD1' ' HB2' ' B' ' 39' ' ' PRO . 0.3 OUTLIER -119.43 -178.56 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.496 ' N ' HH12 ' A' ' 72' ' ' ARG . . . -163.89 176.32 39.94 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.462 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 3.8 tp10 -91.59 11.59 23.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 1.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -118.35 16.99 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.504 ' CG ' ' CZ ' ' A' ' 72' ' ' ARG . 3.2 m120 -131.46 39.06 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.47 ' CG2' HG21 ' B' ' 93' ' ' THR . 2.5 mt -131.63 149.92 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -141.41 111.65 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.662 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.1 164.98 23.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 1.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.36 175.89 43.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 1.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 1.0 109.346 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.497 0.189 . . . . 1.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 173.66 83.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.0 154.68 81.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' O ' ' OG1' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.03 -29.96 7.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.471 1.774 . . . . 1.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -67.85 -44.31 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.44 -46.14 64.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 1.0 109.597 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 77' ' ' GLU . 52.4 mtm -61.17 -61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 4' ' ' PRO . 10.1 m -55.06 -40.15 69.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -57.2 -45.55 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.94 -47.11 92.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.568 HG12 ' CD1' ' A' ' 80' ' ' PHE . 2.9 t -56.24 -47.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -55.6 32.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -52.45 -40.26 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.362 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' CE1' ' HZ ' ' A' ' 101' ' ' PHE . 82.5 t80 -66.59 -45.16 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 t -56.34 -51.49 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -61.93 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 1.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -43.01 -39.04 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.72 -57.02 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.8 -16.47 28.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 1.0 109.254 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -27.13 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.265 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . 76.71 45.46 13.0 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.49 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 78.3 m-20 -92.65 106.2 18.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 0.729 . . . . 1.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.7 mt -77.83 -67.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.34 -35.11 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 1.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -71.16 -68.91 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 1.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.585 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 78.3 mt -42.44 -38.16 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -68.25 -46.73 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -64.37 -15.24 60.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 1.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -54.47 28.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 1.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 18.3 p90 -105.06 -176.11 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' A' ' 110' ' ' VAL . . . -49.34 176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.89 -12.99 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 1.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.84 12.62 12.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -59.05 170.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -120.87 120.44 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 1.0 110.408 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.488 ' CG2' HG12 ' A' ' 51' ' ' ILE . 95.0 t -97.02 137.64 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HB2' ' CG ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -136.15 63.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.452 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -107.52 132.34 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.06 -52.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.02 -2.492 . . . . 1.0 111.005 0.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.475 HG23 ' CG1' ' B' ' 74' ' ' VAL . 2.5 t -114.51 -173.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -51.2 -20.12 4.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 23.7 t -53.32 88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 1.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER 81.83 77.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 1.0 110.256 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.0 Cg_endo -75.09 174.29 13.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 1.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 44' ' ' PRO . 4.1 mmt85 -150.58 148.37 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.0 p -142.36 139.77 31.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 109.956 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 153.1 25.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.464 HG23 ' CG1' ' A' ' 27' ' ' VAL . 33.3 p -63.72 -11.94 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 1.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.78 -65.16 0.83 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -69.99 -36.09 74.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.488 HG12 ' CG2' ' A' ' 36' ' ' VAL . 92.9 mt -60.37 -52.3 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -65.12 -61.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -46.1 -42.33 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 110.252 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.8 t80 -59.84 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.401 ' CZ ' HG12 ' A' ' 36' ' ' VAL . 12.6 m-85 -59.47 -18.61 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 1.0 111.043 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.7 -67.63 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -51.96 -33.95 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 1.0 109.396 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.495 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -69.21 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 1.0 110.001 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 61' ' ' LEU . 19.3 mt -54.32 -19.99 6.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.12 . . . . 1.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -40.51 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 88' ' ' TYR . 6.1 tp -91.12 127.34 51.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 1.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 86' ' ' PHE . 1.5 pp -74.18 -175.71 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.74 103.69 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.28 153.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -169.55 131.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.07 154.21 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.472 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.9 t -167.95 29.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 1.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.517 ' NE2' ' CB ' ' A' ' 81' ' ' ALA . 7.5 mt-30 -143.19 -100.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 2.8 mm-40 -158.88 167.04 30.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.544 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 89.1 t -126.93 105.48 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 109.208 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.482 ' NE ' HD22 ' B' ' 120' ' ' ASN . 15.4 mmt-85 -77.26 151.77 34.94 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.544 1.152 . . . . 1.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' B' ' 118' ' ' GLU . . . -158.26 124.59 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.566 ' O ' ' N ' ' A' ' 76' ' ' ASN . 11.5 t -152.85 -132.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.597 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -36.79 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.597 ' C ' ' O ' ' A' ' 75' ' ' ALA . 1.4 m-20 22.96 50.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 75' ' ' ALA . 31.8 tt0 -152.47 159.18 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' A' ' 77' ' ' GLU . . . -145.19 125.05 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -126.62 106.37 9.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.662 ' CE2' ' CD1' ' A' ' 82' ' ' PHE . 24.4 p90 -118.96 156.17 30.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' CB ' ' NE2' ' A' ' 69' ' ' GLN . . . -113.18 131.97 55.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 1.0 109.396 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 36.5 p90 -139.03 174.61 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.472 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.79 161.25 15.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 1.0 110.374 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.743 ' CG2' ' CE2' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -142.95 125.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 93' ' ' THR . 4.3 t -106.66 104.01 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.01 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.743 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 66.7 m-85 -88.11 160.59 17.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -154.92 93.95 1.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 1.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 88' ' ' TYR . 2.7 p90 -131.55 127.84 38.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 48.42 57.58 6.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.185 . . . . 1.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.66 27.52 49.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 1.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 1.8 tpt180 -113.32 99.93 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 1.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.08 122.24 37.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 85' ' ' SER . 3.8 m -126.44 159.05 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 1.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -137.07 106.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 121' ' ' ILE . 41.7 t -106.07 166.45 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -138.47 69.98 46.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.487 ' CD ' HG11 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 167.09 27.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 1.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.488 ' CD1' ' HG3' ' B' ' 72' ' ' ARG . 89.3 mt -119.99 115.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.654 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -86.6 142.57 28.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.537 ' C ' ' CD2' ' A' ' 100' ' ' HIS . 0.1 OUTLIER -142.48 112.23 6.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 1.0 109.54 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.402 ' HZ ' ' CE1' ' A' ' 14' ' ' TYR . 55.1 m-85 -105.13 135.07 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.06 111.06 19.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.626 ' CE1' ' CG2' ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.04 141.66 58.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.033 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.481 ' CB ' ' CG2' ' A' ' 110' ' ' VAL . 1.6 t30 -106.72 134.68 49.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 107' ' ' GLY . . . 45.51 29.43 2.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 1.0 111.011 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 105' ' ' GLY . . . 40.13 29.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 1.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' GLY . . . -119.76 -36.64 0.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 1.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -162.86 148.13 11.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 1.0 109.363 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.626 ' CG2' ' CE1' ' A' ' 103' ' ' PHE . 3.4 t -73.18 121.69 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.481 ' CG2' ' CB ' ' A' ' 104' ' ' ASN . 46.1 t -121.49 -2.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 1.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.68 128.79 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.584 ' CE ' ' CE2' ' A' ' 30' ' ' PHE . 4.0 ptm -152.0 126.89 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -150.09 167.5 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 110.302 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 39' ' ' PRO . . . -125.96 177.91 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' B' ' 79' ' ' ALA . 0.8 OUTLIER -154.98 116.2 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.408 ' CD1' HG22 ' A' ' 40' ' ' VAL . 9.5 p90 -124.55 -172.48 2.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 1.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.71 173.95 39.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.555 1.159 . . . . 1.0 111.023 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.4 20.84 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 1.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -126.12 14.88 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.91 39.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 95' ' ' VAL . 10.2 mt -135.43 137.17 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -134.15 91.35 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 1.0 109.647 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.37 151.62 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.407 1.067 . . . . 1.0 109.289 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.14 177.87 46.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.445 1.091 . . . . 1.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 1.0 109.235 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.498 0.19 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 63.7 136.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -163.91 154.72 13.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 110.397 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.401 ' O ' ' OG1' ' B' ' 8' ' ' THR . 18.0 Cg_endo -75.09 -30.86 6.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 1.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 8.8 mm-40 -67.99 -46.19 72.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.0 110.344 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.461 ' HB2' ' CG2' ' B' ' 3' ' ' THR . 2.2 t60 -69.51 -43.21 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.441 ' HG2' ' CZ ' ' B' ' 103' ' ' PHE . 52.9 mtm -62.82 -62.85 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 4' ' ' PRO . 7.9 m -54.23 -39.25 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -66.49 -36.2 82.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' B' ' 29' ' ' LEU . 3.0 t -64.27 -39.67 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' B' ' 80' ' ' PHE . 18.4 t -67.81 -44.21 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.85 -51.01 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -60.86 -37.31 81.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 110.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.464 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 13.0 t80 -65.17 -46.67 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.0 t -58.03 -60.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.49 45.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 1.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -42.03 65.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.427 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 16.3 tp -56.06 -53.56 55.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -63.47 -21.8 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.278 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.19 56.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 1.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.86 28.79 73.94 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 9.6 t0 -86.56 85.86 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 0.73 . . . . 1.0 109.378 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' B' ' 59' ' ' LEU . 20.9 mt -68.92 -47.21 66.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.07 . . . . 1.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.88 -57.46 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 1.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.94 -59.49 10.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 56.9 mt -41.95 -38.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.584 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 4.8 t -67.51 -49.61 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 1.0 109.396 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -63.63 -12.9 37.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' B' ' 10' ' ' VAL . 0.3 OUTLIER -63.05 -43.32 98.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 1.0 OUTLIER -117.06 -177.49 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.63 166.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 1.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -87.23 -22.24 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -111.26 4.83 19.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.515 ' CB ' ' HE3' ' B' ' 112' ' ' MET . . . -41.05 150.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.7 p -116.52 109.56 17.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 1.0 110.408 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' SD ' ' B' ' 112' ' ' MET . 46.3 t -91.86 137.16 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -124.36 71.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 1.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.586 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -134.06 142.24 42.55 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.586 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.6 Cg_endo -74.94 -70.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.03 -2.488 . . . . 1.0 111.03 -0.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.483 HG13 ' CB ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -154.3 150.93 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 155.29 -59.01 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.9 m 150.08 -178.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 0.79 . . . . 1.0 110.043 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 49.11 88.99 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 143.99 30.12 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 1.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.516 ' NH2' ' CD2' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -79.45 100.56 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -96.82 123.83 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.945 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 50' ' ' ALA . . . 119.39 123.77 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -41.94 -27.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 1.0 110.412 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -68.62 -48.7 63.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' B' ' 45' ' ' ARG . . . -68.64 -39.65 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.574 HG22 ' CE1' ' B' ' 30' ' ' PHE . 81.8 mt -59.04 -59.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -64.11 -28.77 70.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -57.39 -58.18 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.516 ' CD2' ' NH2' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -65.92 -44.46 85.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 1.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' B' ' 51' ' ' ILE . 5.4 m-85 -58.08 -31.28 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' B' ' 59' ' ' LEU . . . -79.15 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -45.02 -27.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 56' ' ' ALA . 3.1 t -87.8 -38.76 15.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 1.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' B' ' 56' ' ' ALA . 0.3 OUTLIER -61.08 -21.74 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 1.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -23.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.495 ' CD1' ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -104.35 140.41 21.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . 0.495 ' HD2' ' CD1' ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 57.9 4.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 1.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' B' ' 84' ' ' VAL . 2.8 mt -53.54 156.5 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.53 66.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.525 HG12 ' CD2' ' B' ' 82' ' ' PHE . 72.1 t -76.66 143.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.42 ' N ' HG11 ' B' ' 65' ' ' VAL . 7.1 pt-20 -168.23 135.16 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.43 141.35 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.523 ' CG2' ' NE2' ' B' ' 69' ' ' GLN . 0.9 OUTLIER -131.64 7.84 4.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 1.0 110.376 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.523 ' NE2' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -141.57 -83.5 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 1.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 171.2 -173.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 1.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.555 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 79.3 t -113.82 140.34 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' B' ' 79' ' ' ALA . 3.0 mmt85 -107.39 81.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.235 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -83.46 153.46 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.542 ' CG1' ' N ' ' B' ' 75' ' ' ALA . 2.3 p -175.51 -148.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.542 ' N ' ' CG1' ' B' ' 74' ' ' VAL . . . -38.67 93.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 1.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.6 OUTLIER 31.97 41.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 1.1 tt0 -135.36 159.49 41.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -150.6 88.57 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' B' ' 72' ' ' ARG . . . -100.23 93.61 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 43.2 p90 -108.99 156.8 19.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.419 ' HB2' ' CD ' ' B' ' 69' ' ' GLN . . . -118.34 136.89 53.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . 0.525 ' CD2' HG12 ' B' ' 65' ' ' VAL . 45.9 p90 -145.71 168.92 19.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 1.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.44 ' CG2' HG23 ' B' ' 68' ' ' THR . 0.1 OUTLIER -105.07 163.04 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 110.379 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.548 ' CG1' ' CD ' ' B' ' 97' ' ' PRO . 0.4 OUTLIER -142.52 101.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.0 109.336 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.21 125.04 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 3.5 p90 -144.72 137.81 26.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 111.034 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -96.21 116.78 29.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -141.13 141.07 34.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 56.67 50.22 13.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 1.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.35 21.24 12.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 1.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.28 166.47 16.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 1.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.428 ' HB2' ' CB ' ' B' ' 125' ' ' ALA . 23.3 mtmm -127.94 106.2 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' THR . . . . . 0.566 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 5.2 m -104.79 145.84 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 1.7 p -130.74 116.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 1.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.476 HG23 ' CG2' ' B' ' 121' ' ' ILE . 46.7 t -103.31 167.27 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.493 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -138.68 70.49 44.36 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.548 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.97 162.28 37.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 1.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 7.5 mt -123.84 123.49 67.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.1 OUTLIER -101.56 140.52 35.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -131.58 99.51 4.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.457 1.098 . . . . 1.0 109.59 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.456 ' CE1' ' HG2' ' B' ' 112' ' ' MET . 12.6 m-85 -88.02 144.91 26.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -126.1 129.55 49.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 1.0 110.328 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.594 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 10.6 m-85 -105.31 146.51 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' B' ' 106' ' ' ALA . 19.1 p-10 -160.52 -164.34 1.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 1.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.83 -75.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.156 . . . . 1.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' B' ' 104' ' ' ASN . . . -145.91 19.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 1.0 109.298 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.6 39.68 3.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 1.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 143.57 48.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.594 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 18.9 t -77.59 116.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 1.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.509 ' C ' ' CE ' ' B' ' 112' ' ' MET . 59.5 t -127.93 2.2 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.115 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' SER . . . . . 0.515 ' N ' ' CE ' ' B' ' 112' ' ' MET . 0.4 OUTLIER -144.5 116.08 8.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 1.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.515 ' CE ' ' N ' ' B' ' 111' ' ' SER . 0.0 OUTLIER -128.03 125.18 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 1.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -124.26 120.7 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.367 1.042 . . . . 1.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -116.73 151.11 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' B' ' 40' ' ' VAL . 5.3 mp -134.27 124.82 26.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -143.45 154.34 43.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 1.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' B' ' 121' ' ' ILE . . . 90.57 171.96 44.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER 72.29 61.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER 90.22 -20.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 1.0 109.353 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 96' ' ' ALA . 0.8 OUTLIER -69.27 -14.16 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 1.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' B' ' 117' ' ' GLY . 0.4 OUTLIER -92.9 140.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 1.0 109.202 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . 0.405 ' HB2' ' CG1' ' B' ' 94' ' ' VAL . 62.7 m-70 -135.61 88.63 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 109.586 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.67 147.12 33.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 1.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' B' ' 92' ' ' LYS . . . -163.31 173.59 39.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 1.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.479 0.18 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -49.98 178.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 1.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.444 ' CG2' ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -147.99 154.96 43.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.04 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.89 -40.3 96.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.444 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 4.4 t-160 -72.95 -47.99 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.622 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.37 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 1.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -61.88 -50.61 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 1.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.98 -35.03 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 t -65.91 -51.6 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 80' ' ' PHE . 2.9 t -49.35 -49.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -43.91 98.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -59.14 -37.95 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.9 -52.44 36.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 1.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.15 -52.14 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 18' ' ' LEU . . . -60.81 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.44 -31.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' ALA . 14.1 tp -68.91 -59.34 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.65 -17.15 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.36 -32.42 24.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.75 32.58 23.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 1.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.502 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 1.9 m-20 -84.38 94.72 8.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 5.2 mt -71.85 -56.9 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -62.43 -41.43 98.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -63.42 -63.51 4.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 46.8 mt -47.42 -38.06 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 1.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 55.7 t -67.18 -37.91 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -74.05 -17.17 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.47 -46.81 88.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 1.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 6.9 p90 -112.49 -176.37 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.54 179.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.48 ' O ' ' CG2' ' A' ' 48' ' ' THR . 4.1 m-20 -104.34 -18.5 14.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.35 32.78 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . . . -75.73 161.42 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 46' ' ' SER . 39.2 p -106.24 126.06 51.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 1.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.475 ' CG2' HG12 ' A' ' 51' ' ' ILE . 60.8 t -100.07 137.36 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 15.1 mt-10 -132.7 68.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.466 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -115.38 137.58 23.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 116' ' ' PHE . 18.2 Cg_endo -75.01 -44.39 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.014 -2.494 . . . . 1.0 110.941 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.579 ' CG2' ' CG1' ' B' ' 74' ' ' VAL . 2.4 t -117.44 -174.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 1.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' H ' ' CG1' ' A' ' 40' ' ' VAL . . . -51.26 -20.63 5.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.138 . . . . 1.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -41.23 109.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 1.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 41.53 83.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 110.306 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -176.47 2.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 1.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -162.24 -178.52 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 1.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 47.7 p -173.21 159.01 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 100.06 122.45 4.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 32' ' ' ASP . 28.7 p -41.7 -27.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 1.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -59.76 -62.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.491 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -63.32 -49.19 74.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 1.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.546 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.1 mt -49.61 -36.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -71.52 -71.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.85 -31.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 4.1 m-85 -70.82 -62.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.499 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 9.4 m-85 -60.99 -14.23 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.63 -67.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' PHE . 6.8 p-10 -56.71 -21.53 28.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.0 m -82.63 -47.56 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 55' ' ' TYR . 9.1 mt -63.11 -22.25 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.37 -21.35 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.13 139.92 21.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 55.34 3.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 1.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -81.08 138.56 35.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.425 ' N ' HD23 ' A' ' 63' ' ' LEU . . . -118.29 99.13 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 63' ' ' LEU . 3.7 t -98.1 141.01 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -163.65 134.01 4.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 1.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 82' ' ' PHE . 1.6 pp -71.07 141.65 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.486 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.7 t -164.01 42.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -143.25 -59.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 110.259 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER 161.61 160.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.285 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 80' ' ' PHE . 61.9 t -129.82 116.67 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' NH2' ' CB ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -103.25 107.15 17.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.43 126.56 46.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.447 HG21 ' CA ' ' B' ' 117' ' ' GLY . 0.9 OUTLIER -128.19 -146.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -49.59 97.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 39.51 30.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' ALA . 6.6 mt-10 -123.88 157.76 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.32 101.14 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.65 105.68 14.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CE1' ' HB3' ' A' ' 99' ' ' ASP . 38.4 p90 -121.07 161.75 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.484 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -114.53 130.79 56.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 67' ' ' LEU . 51.2 p90 -136.7 167.78 20.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.486 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -102.6 158.77 16.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.413 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.575 ' CG1' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -140.3 105.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 t -97.18 132.74 42.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.952 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 7.5 p90 -156.84 147.7 21.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -105.14 119.19 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.57 145.56 36.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 48.76 51.29 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.86 37.11 14.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 1.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 139.32 30.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' HE3' ' CB ' ' A' ' 125' ' ' ALA . 4.4 ptpp? -99.45 120.28 39.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.563 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 26.1 m -125.49 144.79 50.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -128.88 114.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.5 t -95.94 168.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.54 66.66 18.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.575 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.95 169.7 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.474 HG23 ' CZ ' ' B' ' 72' ' ' ARG . 4.2 mt -121.78 118.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 1.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.523 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -91.1 148.37 22.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.56 118.71 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.584 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -107.57 140.01 41.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -126.05 100.07 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.658 ' CZ ' ' CG2' ' A' ' 109' ' ' VAL . 2.8 m-85 -72.52 146.02 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -149.4 -160.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 59.97 -139.39 48.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 1.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.92 31.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 1.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.02 60.71 0.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 1.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -155.98 139.51 15.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 1.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.658 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 19.7 t -65.92 120.62 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.469 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 66.4 t -127.82 4.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.81 130.06 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 1.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.48 143.0 29.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.478 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 43.9 ttp180 -148.88 147.08 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 39' ' ' PRO . . . -116.02 178.76 4.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -151.05 113.39 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 3.8 p90 -124.16 124.09 41.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -94.84 -175.65 38.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 1.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.04 2.27 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 1.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HE2' ' CG ' ' B' ' 70' ' ' GLU . 0.0 OUTLIER -116.49 12.39 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -114.62 26.06 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.49 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 1.7 mp -123.5 137.94 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -129.82 99.79 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.85 156.54 20.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -170.38 172.75 44.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.47 ' CB ' ' HE3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.48 0.181 . . . . 1.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 m120 55.98 177.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -104.52 155.47 37.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 1.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.17 8.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.449 1.763 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -44.7 68.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -69.51 -46.01 67.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 1.0 109.599 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -60.04 -59.54 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.963 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.7 m -54.69 -42.33 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.8 t -58.69 -42.32 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.565 HG13 ' CD1' ' B' ' 80' ' ' PHE . 7.0 t -64.27 -45.84 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -41.14 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.466 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 5.3 t80 -58.24 -53.38 58.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.14 -56.15 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.99 -44.56 15.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.11 92.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.443 ' HA ' ' CD1' ' B' ' 26' ' ' ILE . 27.0 tp -57.15 -47.55 80.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -62.78 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.06 -14.02 62.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 1.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.46 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 77.37 21.56 72.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.5 ' O ' ' CG1' ' B' ' 26' ' ' ILE . 1.9 m-20 -68.86 73.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.481 ' CD1' ' HB1' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -59.08 -46.9 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 1.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.47 -63.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.89 -35.18 4.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.554 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 38.1 mt -72.4 -43.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.573 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 25.1 t -68.43 -15.41 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.83 -24.48 14.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -51.48 -53.4 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 24.0 p90 -100.05 -174.0 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 1.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' B' ' 30' ' ' PHE . . . -50.77 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.458 ' O ' ' CG2' ' B' ' 48' ' ' THR . 1.5 m-20 -109.7 -11.79 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -122.52 15.35 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.07 167.39 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 73.2 p -122.94 129.57 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' B' ' 51' ' ' ILE . 38.7 t -105.04 148.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 2.6 mt-10 -132.98 61.97 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.45 ' HB2' ' CB ' ' B' ' 114' ' ' ALA . 38.1 t0 -141.15 129.58 12.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.429 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.0 -143.7 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.973 -2.511 . . . . 1.0 111.006 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' B' ' 114' ' ' ALA . 6.6 t -116.34 150.87 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 176.96 -66.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 1.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.66 54.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 1.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.83 86.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.44 154.34 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 110.254 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -143.5 132.76 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.83 147.68 16.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' B' ' 32' ' ' ASP . 30.2 p -62.69 -12.91 26.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 1.0 110.421 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.0 62.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.475 HG23 ' CE1' ' B' ' 30' ' ' PHE . 4.1 mt -52.64 -52.32 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' B' ' 48' ' ' THR . 50.3 ttm-85 -66.09 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 26.6 mt-10 -41.52 -30.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -75.33 -66.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -47.15 -45.82 22.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.481 ' HB1' ' CD1' ' B' ' 23' ' ' LEU . . . -65.93 -50.57 63.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 10.2 t30 -50.95 -27.54 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -55.62 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' B' ' 23' ' ' LEU . 0.1 OUTLIER -53.66 -19.75 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -39.58 -29.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 86' ' ' PHE . 15.7 tp -94.24 136.99 22.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.69 4.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 1.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.51 -175.82 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 1.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.67 103.45 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 1.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' CG1' ' B' ' 84' ' ' VAL . 61.9 t -91.3 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.431 ' OE2' ' N ' ' B' ' 67' ' ' LEU . 12.1 tp10 -161.88 136.74 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' ' OE2' ' B' ' 66' ' ' GLU . 11.8 mt -71.22 159.58 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' B' ' 68' ' ' THR . 1.3 t 179.68 35.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 110.43 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.498 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.3 OUTLIER -144.49 -92.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.457 ' CG ' ' HE2' ' A' ' 119' ' ' LYS . 2.8 tm-20 -172.65 169.12 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' B' ' 80' ' ' PHE . 60.8 t -135.42 93.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.474 ' CZ ' HG23 ' A' ' 98' ' ' ILE . 1.5 ptp180 -76.23 153.62 35.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.471 ' HB2' ' CE ' ' B' ' 7' ' ' MET . . . -148.87 135.19 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.579 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 1.8 t -152.64 -139.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.602 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -35.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . 0.602 ' C ' ' O ' ' B' ' 75' ' ' ALA . 4.5 t-20 23.96 52.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' B' ' 75' ' ' ALA . 6.6 pt-20 -152.32 154.63 36.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.3 131.51 19.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' CZ ' ' B' ' 72' ' ' ARG . . . -131.38 120.85 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 28.0 p90 -127.59 158.97 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.498 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -117.48 128.78 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -135.15 173.47 11.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.419 ' OG1' HG23 ' B' ' 68' ' ' THR . 0.0 OUTLIER -110.23 158.9 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 2.2 m -143.61 113.84 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 15.0 m -98.07 123.8 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' B' ' 84' ' ' VAL . 21.5 m-85 -118.03 168.88 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -148.51 131.81 16.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 1.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.404 ' HB3' ' CB ' ' B' ' 91' ' ' ARG . 0.3 OUTLIER -126.4 78.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 1.0 110.973 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' B' ' 88' ' ' TYR . 12.5 pt20 38.58 78.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.93 -28.56 12.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 1.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.404 ' CB ' ' HB3' ' B' ' 88' ' ' TYR . 0.0 OUTLIER -88.01 160.05 18.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 1.0 110.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -156.15 146.36 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 43.9 m -138.29 163.64 31.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 1.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.536 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 1.9 t -145.34 85.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' B' ' 116' ' ' PHE . 39.7 t -87.17 144.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . 0.5 ' N ' HG11 ' B' ' 95' ' ' VAL . . . -123.38 71.6 46.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' PRO . . . . . 0.465 ' HD3' ' C ' ' B' ' 95' ' ' VAL . 18.4 Cg_endo -75.02 164.2 33.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' B' ' 81' ' ' ALA . 4.8 mt -123.3 114.17 40.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.617 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -81.92 150.77 27.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 1.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -149.27 95.19 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.636 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' B' ' 112' ' ' MET . 7.4 m-30 -91.22 153.68 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.461 ' CZ ' ' HD2' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -126.24 112.98 16.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.583 ' CD2' HG21 ' B' ' 109' ' ' VAL . 6.0 m-85 -85.78 152.32 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' B' ' 103' ' ' PHE . 6.4 m-20 156.32 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 1.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' B' ' 110' ' ' VAL . . . 35.83 -126.97 0.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 1.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.78 16.34 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.76 . . . . 1.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.03 42.02 0.57 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 1.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.77 -175.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -71.29 118.41 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' B' ' 110' ' ' VAL . 38.9 t -128.32 5.41 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.2 p -162.11 150.86 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.561 ' HB2' ' CD1' ' B' ' 101' ' ' PHE . 3.3 ptp -170.04 146.69 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 1.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.469 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.8 OUTLIER -129.3 166.74 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 110.255 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . 0.491 ' O ' ' CG2' ' B' ' 40' ' ' VAL . . . -132.14 104.23 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 92.72 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' B' ' 95' ' ' VAL . 0.5 OUTLIER -112.75 79.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . 0.447 ' CA ' HG21 ' A' ' 74' ' ' VAL . . . -68.12 -173.97 7.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -114.94 58.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 1.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' B' ' 120' ' ' ASN . 3.3 ttmm -157.24 33.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' B' ' 119' ' ' LYS . 4.0 m-80 -158.91 29.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' B' ' 118' ' ' GLU . 4.2 mp -109.96 137.09 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' HIS . . . . . 0.49 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 1.2 m-70 -124.58 91.17 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.26 152.21 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.78 179.61 48.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.46 1.1 . . . . 1.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 1.0 109.298 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.629 HD21 ' CG ' ' A' ' 7' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.0 p -100.01 155.07 36.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 1.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -27.42 10.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 9.8 pt-20 -68.52 -46.08 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 110.356 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -70.27 -48.99 54.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.744 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 65.3 mtm -60.4 -60.29 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 36.7 m -54.19 -42.73 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 1.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.62 -41.07 80.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.58 HG13 HD21 ' A' ' 29' ' ' LEU . 2.8 t -62.46 -46.72 95.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.498 HG22 ' CE1' ' A' ' 80' ' ' PHE . 3.4 t -57.85 -40.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.8 -58.82 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 1.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -53.01 -34.66 57.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.26 -47.03 71.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.14 -50.14 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 1.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.73 29.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -40.1 57.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.648 ' HA ' HD11 ' A' ' 26' ' ' ILE . 12.0 tp -58.23 -55.23 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -60.79 -21.9 63.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.21 36.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.32 19.31 66.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.13 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.657 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -77.79 94.16 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 1.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -75.62 -50.83 14.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 1.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.73 -55.71 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -57.31 20.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 22' ' ' ASP . 48.3 mt -46.24 -39.14 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.433 0.725 . . . . 1.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.835 HG13 HG22 ' A' ' 48' ' ' THR . 3.4 t -65.86 -44.25 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 1.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -16.86 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.58 HD21 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -57.8 -43.03 85.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.958 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.2 p90 -116.5 -176.09 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -50.18 178.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.597 ' HA ' HG23 ' A' ' 48' ' ' THR . 2.1 p-10 -105.01 -17.85 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -117.91 25.43 10.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -74.7 170.06 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.817 HG22 ' CB ' ' A' ' 46' ' ' SER . 41.6 p -125.46 125.88 44.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 110.405 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.811 HG23 HG12 ' A' ' 51' ' ' ILE . 24.0 t -107.85 148.01 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.76 102.57 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.603 ' O ' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -143.0 121.83 7.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.545 ' HB2' ' CD1' ' A' ' 116' ' ' PHE . 18.2 Cg_endo -74.98 -84.3 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.978 -2.509 . . . . 1.0 110.999 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.699 HG12 ' HB2' ' B' ' 75' ' ' ALA . 0.6 OUTLIER -142.9 145.12 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.53 25.56 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.473 ' CB ' ' HD2' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -112.61 49.88 0.9 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.533 0.784 . . . . 1.0 110.005 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 59.33 95.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 143.9 29.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 1.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.625 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -101.73 160.1 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.384 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.817 ' CB ' HG22 ' A' ' 35' ' ' THR . 87.7 p -147.9 136.31 21.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 110.03 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . 96.17 134.39 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 1.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.835 HG22 HG13 ' A' ' 27' ' ' VAL . 8.6 p -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 1.0 110.414 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -66.83 -55.33 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 109.368 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -67.62 -54.48 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.958 HG21 ' CE1' ' A' ' 30' ' ' PHE . 98.8 mt -44.84 -45.4 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 1.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -68.42 -41.18 80.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.22 -48.38 73.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 38' ' ' ASP . 0.1 OUTLIER -69.09 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.7 ' O ' HD12 ' A' ' 59' ' ' LEU . 5.8 m-85 -42.91 -30.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -75.47 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 1.0 109.219 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -54.3 -20.33 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 1.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -59.42 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.3 mt -56.51 -19.01 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -45.19 -26.63 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.609 HD12 ' HD2' ' A' ' 62' ' ' PRO . 12.2 tp -99.57 133.51 21.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.07 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -131.38 167.42 19.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.09 113.01 10.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 1.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' A' ' 82' ' ' PHE . 13.5 t -86.35 149.06 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' OG1' ' A' ' 83' ' ' THR . 8.2 pt-20 -157.59 143.08 17.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 1.0 110.247 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 67' ' ' LEU . 17.1 mt -73.32 139.22 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.626 HG21 HG23 ' A' ' 83' ' ' THR . 3.5 t -141.16 14.15 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.697 ' HG3' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -148.16 -88.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 110.29 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' OE2' ' CD ' ' B' ' 119' ' ' LYS . 0.0 OUTLIER 173.46 -174.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.362 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.917 HG22 ' CB ' ' A' ' 80' ' ' PHE . 73.9 t -115.43 148.19 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.967 ' HD2' HD12 ' B' ' 98' ' ' ILE . 0.1 OUTLIER -112.99 79.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.744 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -88.64 133.04 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.852 HG11 HG21 ' B' ' 40' ' ' VAL . 1.5 t -148.62 -147.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 1.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.534 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -50.46 100.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' ALA . 1.5 t-20 37.54 34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 75' ' ' ALA . 13.7 mt-10 -127.77 154.24 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.382 1.052 . . . . 1.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.08 88.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 72' ' ' ARG . . . -108.22 100.55 9.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.917 ' CB ' HG22 ' A' ' 71' ' ' VAL . 53.3 p90 -112.38 162.97 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.697 ' HB3' ' HG3' ' A' ' 69' ' ' GLN . . . -120.08 129.39 54.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CD1' HG13 ' A' ' 65' ' ' VAL . 47.8 p90 -136.11 162.74 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.626 HG23 HG21 ' A' ' 68' ' ' THR . 0.1 OUTLIER -102.63 156.11 17.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 1.0 110.395 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -130.93 116.95 35.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 1.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.66 120.58 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 1.0 110.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.748 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.5 p90 -153.22 138.54 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 1.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.304 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.486 ' C ' ' HG1' ' A' ' 93' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.602 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 88.3 m -156.15 145.24 20.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 110.412 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -132.48 117.79 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.748 HG23 ' CE1' ' A' ' 86' ' ' PHE . 4.9 t -98.04 165.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.633 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -143.42 64.67 14.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 96' ' ' ALA . 18.1 Cg_endo -75.07 163.06 35.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 1.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.611 HD12 ' HG3' ' B' ' 72' ' ' ARG . 5.5 mt -115.86 119.07 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -88.3 123.03 32.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 1.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.21 105.78 13.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 109.574 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -111.44 133.28 53.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.479 ' HG3' ' CB ' ' A' ' 111' ' ' SER . 4.7 ptm180 -115.15 117.28 30.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CE2' HG22 ' A' ' 109' ' ' VAL . 6.5 m-85 -89.13 147.23 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.621 HD21 HG21 ' A' ' 110' ' ' VAL . 39.9 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.552 HG22 ' CE2' ' A' ' 103' ' ' PHE . 2.2 t -74.52 120.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 1.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 104' ' ' ASN . 77.7 t -117.76 -5.82 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -142.06 131.96 24.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.039 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.626 ' SD ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -143.0 117.35 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 110.957 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.5 ttm105 -132.97 130.76 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.206 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.85 172.32 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' B' ' 79' ' ' ALA . 0.4 OUTLIER -144.56 104.74 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -123.55 129.58 51.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.049 . . . . 1.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -104.97 175.08 21.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -37.02 64.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 1.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 12.5 12.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.633 ' OD1' ' HB3' ' A' ' 96' ' ' ALA . 12.2 t-20 -97.79 10.2 40.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.745 HG13 HG13 ' A' ' 95' ' ' VAL . 4.4 mt -124.76 146.64 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -133.37 102.4 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 109.653 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.68 168.36 18.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.5 -178.66 40.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 1.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.577 0.81 . . . . 1.0 109.262 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.406 0.146 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.51 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.6 OUTLIER 167.25 124.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 1.0 109.259 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.92 154.7 40.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 1.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.59 14.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 1.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -55.93 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.359 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -68.05 -42.41 80.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 1.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.586 ' HG2' ' CZ ' ' B' ' 103' ' ' PHE . 12.2 mtm -57.95 -51.61 68.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 1.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 78.5 m -58.58 -49.98 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 1.0 110.415 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.14 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 t -59.17 -46.48 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.616 1.198 . . . . 1.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.758 HG21 ' HB1' ' B' ' 78' ' ' ALA . 7.4 t -54.2 -42.12 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.77 -48.57 81.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -42.63 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.454 ' HH ' ' HH ' ' B' ' 55' ' ' TYR . 80.6 t80 -60.69 -50.86 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.22 -52.8 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.68 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 1.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' B' ' 26' ' ' ILE . . . -62.97 -28.28 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.716 ' HA ' HD11 ' B' ' 26' ' ' ILE . 25.9 tp -72.59 -56.68 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 1.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -53.95 -49.27 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.562 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -58.23 -26.63 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.467 ' CA ' HD22 ' B' ' 59' ' ' LEU . . . 68.7 50.87 33.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 1.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.562 ' OD2' ' HB3' ' B' ' 20' ' ' ALA . 1.4 p-10 -109.46 97.05 6.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 27' ' ' VAL . 5.7 mt -64.78 -45.46 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -45.05 73.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.97 -65.44 2.7 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 1.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' B' ' 18' ' ' LEU . 60.2 mt -43.55 -37.67 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 23' ' ' LEU . 37.4 t -68.38 -44.39 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -68.84 -12.81 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 1.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.6 tt -72.4 -66.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 1.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.66 ' CZ ' HG21 ' B' ' 51' ' ' ILE . 49.4 p90 -87.01 174.51 8.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.64 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -47.07 172.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.698 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -100.14 -13.22 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -121.42 17.45 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.98 179.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.631 HG22 ' CB ' ' B' ' 46' ' ' SER . 48.9 p -133.29 124.35 27.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 1.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.65 HG23 HG12 ' B' ' 51' ' ' ILE . 65.1 t -97.73 138.28 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 35.6 tt0 -139.63 67.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 1.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' B' ' 54' ' ' PHE . 0.0 OUTLIER -140.09 141.8 28.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 1.0 109.349 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.536 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.0 Cg_endo -75.05 -66.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.015 -2.494 . . . . 1.0 110.947 0.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.852 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -157.46 -175.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 1.0 109.24 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.88 2.7 8.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 1.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.05 72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 0.736 . . . . 1.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -168.98 64.0 0.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.0 144.17 29.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 1.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.483 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 10.0 mtt180 -117.37 141.73 47.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.631 ' CB ' HG22 ' B' ' 35' ' ' THR . 17.6 p -116.23 148.49 40.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 1.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.4 148.04 23.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 1.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.698 HG23 ' O ' ' B' ' 32' ' ' ASP . 30.2 p -64.66 -17.24 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 1.0 110.358 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.485 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.58 -61.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.483 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -67.12 -37.2 83.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.66 HG21 ' CZ ' ' B' ' 30' ' ' PHE . 28.0 mt -62.62 -65.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' B' ' 48' ' ' THR . 0.0 OUTLIER -53.8 -44.19 69.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 6.4 mm-40 -50.9 -49.14 60.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 1.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' B' ' 38' ' ' ASP . 15.5 t80 -68.81 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.576 ' O ' HD12 ' B' ' 59' ' ' LEU . 0.9 OUTLIER -42.45 -28.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 110.999 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.94 -56.3 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 10.2 t-20 -55.24 -23.1 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 23.4 t -81.17 -58.87 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.576 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.9 OUTLIER -56.49 -18.77 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -45.17 -26.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' B' ' 59' ' ' LEU . 10.9 tp -90.19 132.37 36.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.1 Cg_endo -75.01 75.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.396 1.735 . . . . 1.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.519 ' O ' HD12 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.21 170.27 8.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.11 105.92 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' B' ' 82' ' ' PHE . 4.2 t -82.76 142.37 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 1.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -161.14 141.2 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.255 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.406 HD23 ' O ' ' B' ' 81' ' ' ALA . 0.2 OUTLIER -70.14 152.73 43.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -154.76 22.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 110.34 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.772 ' HG3' ' HB3' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -147.99 -86.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.366 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.424 ' HB3' ' NH2' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -179.22 -177.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.92 HG22 ' CB ' ' B' ' 80' ' ' PHE . 70.4 t -123.66 139.1 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.611 ' HG3' HD12 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -110.84 83.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 1.0 110.331 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.54 ' HB1' ' HE3' ' B' ' 7' ' ' MET . . . -83.63 101.9 11.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 2.5 t -152.56 158.85 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.25 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.699 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . 55.06 55.16 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 1.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 75' ' ' ALA . 20.7 p30 38.95 30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' B' ' 74' ' ' VAL . 6.0 pt-20 -145.54 140.56 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.758 ' HB1' HG21 ' B' ' 11' ' ' VAL . . . -98.63 124.53 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.683 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -128.07 88.79 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.92 ' CB ' HG22 ' B' ' 71' ' ' VAL . 38.6 p90 -110.78 172.7 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.772 ' HB3' ' HG3' ' B' ' 69' ' ' GLN . . . -124.65 132.01 53.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.662 ' HD2' HG13 ' B' ' 65' ' ' VAL . 38.6 p90 -136.88 169.96 16.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 1.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -113.8 165.38 12.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 1.0 110.399 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -137.61 114.79 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 1.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -88.67 126.97 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.932 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.831 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.2 p90 -158.47 136.55 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 1.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.253 -0.277 . . . . 1.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -133.15 143.12 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 26.0 m -155.73 143.16 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.351 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.407 HG13 ' ND1' ' B' ' 122' ' ' HIS . 1.4 p -135.93 120.05 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.831 HG23 ' CE1' ' B' ' 86' ' ' PHE . 20.5 t -97.57 162.69 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -138.82 68.87 43.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.521 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 1.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.967 HD12 ' HD2' ' A' ' 72' ' ' ARG . 1.3 mt -113.33 124.35 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 0.3 OUTLIER -96.09 118.57 32.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' B' ' 100' ' ' HIS . 0.2 OUTLIER -135.05 115.21 13.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.717 ' HZ ' HG22 ' B' ' 11' ' ' VAL . 4.3 p90 -146.63 158.38 43.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.668 ' O ' HG13 ' B' ' 109' ' ' VAL . 4.0 mtm105 -107.04 151.67 25.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 110.216 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.718 ' CB ' HG22 ' B' ' 109' ' ' VAL . 3.2 p90 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' B' ' 108' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.3 -0.629 . . . . 1.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.718 HG22 ' CB ' ' B' ' 103' ' ' PHE . 1.8 t -90.82 124.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.637 HG22 ' HB2' ' B' ' 31' ' ' ALA . 59.7 t -118.82 -8.45 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -149.37 133.73 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 110.074 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.489 ' CB ' ' HB3' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -147.74 146.73 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 111.031 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' B' ' 114' ' ' ALA . 0.6 OUTLIER -152.82 140.01 19.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 1.0 110.226 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.502 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -109.04 168.33 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.54 107.9 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 1.0 109.235 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' B' ' 117' ' ' GLY . 0.1 OUTLIER -124.05 -175.45 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 111.014 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' B' ' 116' ' ' PHE . . . -178.49 179.61 48.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.886 ' HA ' HD12 ' B' ' 121' ' ' ILE . 16.9 pt-20 -67.94 -42.98 80.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 1.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 1.4 mttp -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 1.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.484 ' OD1' ' CZ ' ' A' ' 72' ' ' ARG . 37.4 m-80 -73.23 -15.2 61.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' B' ' 118' ' ' GLU . 7.2 mt -95.69 134.72 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 1.0 109.249 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.0 OUTLIER -127.88 94.62 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 1.0 109.571 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.38 172.66 5.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 162.65 179.15 37.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.986 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.29 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.622 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -157.6 154.82 26.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 1.0 110.422 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.93 3.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.459 1.768 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.1 -43.09 96.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 1.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.622 ' HB2' HG23 ' A' ' 3' ' ' THR . 10.7 t-80 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -59.32 -52.19 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 1.0 110.961 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 1.028 HG23 HG11 ' A' ' 71' ' ' VAL . 20.5 m -66.92 -50.43 62.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.32 -50.23 40.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' ARG . 7.9 t -56.67 -59.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.767 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.1 t -42.17 -38.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -45.5 77.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -61.33 -43.12 99.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 110.288 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' OH ' ' CZ ' ' A' ' 55' ' ' TYR . 17.7 t80 -59.64 -59.53 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 1.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.746 HG11 ' H ' ' A' ' 67' ' ' LEU . 8.7 t -48.46 -49.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.58 -51.12 58.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.391 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -37.11 76.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HA ' HD11 ' A' ' 26' ' ' ILE . 4.4 tp -60.73 -51.39 69.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.68 -31.14 70.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.49 -10.75 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.547 ' HA2' HD21 ' A' ' 59' ' ' LEU . . . 66.44 49.68 54.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.546 1.154 . . . . 1.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.573 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.2 m-20 -92.73 93.67 8.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.813 HD11 ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -69.14 -66.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.51 -34.76 76.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 1.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.51 3.6 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.467 1.104 . . . . 1.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.682 HG22 ' HE2' ' A' ' 30' ' ' PHE . 38.3 mt -52.33 -35.63 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 23' ' ' LEU . 69.2 t -70.73 -30.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.6 -17.68 47.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.78 -68.2 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.369 1.043 . . . . 1.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.682 ' HE2' HG22 ' A' ' 26' ' ' ILE . 40.5 p90 -85.01 -175.52 5.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -47.87 173.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 1.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 1.021 ' O ' HG23 ' A' ' 48' ' ' THR . 0.6 OUTLIER -104.63 -14.47 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -119.52 14.35 12.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 1.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -57.44 179.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 46' ' ' SER . 29.8 p -129.7 122.41 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 1.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.793 HG23 HG12 ' A' ' 51' ' ' ILE . 21.8 t -103.92 137.87 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -133.73 111.67 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.585 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.08 143.45 9.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 1.0 109.28 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.585 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.94 -70.62 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.036 -2.485 . . . . 1.0 111.012 -0.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -157.35 154.14 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.603 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 139.62 -50.41 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 3.2 p 149.69 -177.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 1.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.36 79.21 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.77 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -142.12 101.66 3.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 1.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' HG22 ' A' ' 35' ' ' THR . 7.3 p -97.69 140.98 31.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.991 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.95 148.59 23.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.021 HG23 ' O ' ' A' ' 32' ' ' ASP . 2.3 p -63.18 -17.4 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 1.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.88 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.31 97.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 36' ' ' VAL . 96.8 mt -58.45 -59.38 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 1.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.813 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -49.46 -47.16 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 1.2 tp10 -64.76 -27.45 68.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 1.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.78 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.948 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.469 ' CZ ' ' OH ' ' A' ' 14' ' ' TYR . 25.7 m-85 -60.3 -29.01 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.555 ' HA ' HD21 ' A' ' 23' ' ' LEU . . . -68.02 -70.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 1.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.525 ' ND2' ' HA ' ' A' ' 54' ' ' PHE . 8.4 p30 -46.45 -42.41 15.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.441 ' N ' ' CG ' ' A' ' 57' ' ' ASN . 17.6 t -61.96 -49.73 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 1.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.591 HD12 ' CD2' ' A' ' 23' ' ' LEU . 1.3 mt -58.63 -23.77 59.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 10.8 ttmt -43.38 -26.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.393 1.058 . . . . 1.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' A' ' 62' ' ' PRO . 9.4 tp -92.86 140.46 23.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.96 54.32 3.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.611 1.848 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.955 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -98.22 131.99 44.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 1.0 109.376 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.734 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -107.21 103.43 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.688 HG23 HD21 ' A' ' 63' ' ' LEU . 2.1 t -95.1 144.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 3.4 tt0 -158.3 137.99 12.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 1.0 110.384 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 68' ' ' THR . 6.2 tt -61.14 157.99 14.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.899 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.2 p -136.98 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -179.98 -160.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 1.0 110.337 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.84 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 20.8 mm-40 55.51 60.96 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 1.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.028 HG11 HG23 ' A' ' 8' ' ' THR . 53.8 t -111.9 84.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -87.27 104.37 16.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.675 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -102.18 128.79 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.773 HG13 ' N ' ' A' ' 75' ' ' ALA . 5.9 p -157.07 -139.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.773 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -31.48 95.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 1.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.625 ' C ' ' O ' ' A' ' 75' ' ' ALA . 8.8 m-80 20.93 58.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 27.3 tt0 -162.1 158.61 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.28 108.61 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -99.46 106.09 18.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.974 ' CB ' HG22 ' A' ' 71' ' ' VAL . 54.5 p90 -107.59 125.82 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.84 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . . . -86.66 106.81 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 1.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.0 p90 -107.97 -172.61 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -123.56 162.07 23.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 1.0 110.405 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.669 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -139.96 114.69 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 1.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -96.11 116.04 28.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 1.0 110.064 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -154.56 146.98 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 1.0 110.3 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.41 ' C ' ' OG1' ' A' ' 93' ' ' THR . 7.3 mttm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.66 HG22 HG23 ' A' ' 121' ' ' ILE . 4.9 m -155.83 146.18 21.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.407 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -129.78 118.83 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 1.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.859 HG22 HG12 ' A' ' 121' ' ' ILE . 47.5 t -100.39 166.23 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 1.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.506 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -136.41 69.81 61.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 1.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.02 162.56 36.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 1.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.736 HG12 ' HB2' ' A' ' 81' ' ' ALA . 10.3 mt -114.47 119.81 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.39 125.11 41.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -106.15 106.04 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.767 ' CD2' HG22 ' A' ' 11' ' ' VAL . 12.3 m-30 -94.62 136.63 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 1.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.92 ' O ' HG13 ' A' ' 109' ' ' VAL . 10.4 mtp180 -111.03 144.59 39.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -125.08 170.08 11.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.609 HD21 HG23 ' A' ' 110' ' ' VAL . 2.9 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.438 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 1.4 pttt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 102' ' ' ARG . 5.5 t -94.03 117.65 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.609 HG23 HD21 ' A' ' 104' ' ' ASN . 49.0 t -117.91 -5.71 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.438 ' HB3' ' CD ' ' A' ' 102' ' ' ARG . 2.2 m -141.41 141.61 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.492 ' SD ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -158.6 132.89 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 1.0 111.064 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HD3' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -136.02 160.04 39.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 1.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.484 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . . . -128.22 153.76 46.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.78 HD13 ' NH1' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -136.07 113.82 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 97' ' ' PRO . 6.8 m-85 -106.64 -175.67 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 1.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -176.08 176.24 47.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 1.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.94 -35.82 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 1.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -67.7 -10.01 48.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 1.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -107.58 29.97 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.859 HG12 HG22 ' A' ' 95' ' ' VAL . 3.3 mt -118.46 148.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -141.08 98.87 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.519 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -59.25 175.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.66 176.64 35.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 1.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 1.0 109.301 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.8 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.49 0.186 . . . . 1.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 4.9 p-10 41.0 76.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 1.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -126.9 155.48 75.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -30.71 6.95 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 1.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -68.7 -46.49 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -46.51 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.662 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.595 ' HE3' ' HB1' ' B' ' 73' ' ' ALA . 56.2 mtm -61.97 -61.84 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' THR . . . . . 1.007 HG23 HG11 ' B' ' 71' ' ' VAL . 27.1 m -52.49 -39.53 61.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 1.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -60.07 -44.37 94.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.52 -34.87 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' B' ' 80' ' ' PHE . 5.9 t -64.91 -44.99 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -67.05 -39.91 87.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 1.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.488 ' HB3' HD11 ' B' ' 29' ' ' LEU . 0.0 OUTLIER -68.2 -35.86 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 1.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -67.37 -44.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 1.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.691 HG11 ' N ' ' B' ' 67' ' ' LEU . 24.0 t -62.84 -54.49 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.49 84.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.405 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -62.59 -41.49 99.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 1.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.753 HD23 HG21 ' B' ' 65' ' ' VAL . 6.8 tp -60.84 -57.54 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.74 -22.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 1.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.05 -20.69 55.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.649 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 79.24 20.45 69.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.629 ' O ' HD12 ' B' ' 26' ' ' ILE . 4.8 m-20 -73.12 97.33 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.1 OUTLIER -70.94 -72.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.79 -34.38 75.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.47 -57.82 17.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.44 1.088 . . . . 1.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 22' ' ' ASP . 66.0 mt -56.41 -44.9 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 1.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.595 HG22 HG22 ' B' ' 51' ' ' ILE . 3.3 t -61.79 -27.21 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.77 -21.75 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' B' ' 13' ' ' ARG . 2.3 tt -55.54 -58.09 9.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 35.1 p90 -96.48 -177.81 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.1 167.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.961 ' O ' HG23 ' B' ' 48' ' ' THR . 0.5 OUTLIER -98.35 -13.97 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.86 11.31 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -58.93 179.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.654 HG22 ' CB ' ' B' ' 46' ' ' SER . 49.7 p -135.82 140.18 44.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 1.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.766 HG13 ' HG2' ' B' ' 112' ' ' MET . 11.5 t -114.77 138.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -140.62 94.98 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 110.318 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.787 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -148.15 143.52 17.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 1.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.664 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -74.92 -77.33 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.004 -2.498 . . . . 1.0 111.03 -0.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.59 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -157.29 154.33 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.581 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 136.09 -47.02 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 153.15 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 1.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 1.6 mt-10 67.15 63.77 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.0 Cg_endo -74.98 -169.23 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 1.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.956 ' HD3' ' HB1' ' B' ' 50' ' ' ALA . 6.3 mtt-85 -142.1 142.18 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.654 ' CB ' HG22 ' B' ' 35' ' ' THR . 53.0 p -138.89 140.33 38.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.45 150.01 23.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 1.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.961 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.7 p -63.15 -12.32 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.743 . . . . 1.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.32 -64.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.956 ' HB1' ' HD3' ' B' ' 45' ' ' ARG . . . -70.3 -37.19 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.595 HG22 HG22 ' B' ' 27' ' ' VAL . 4.9 mt -60.33 -62.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' B' ' 56' ' ' ALA . 1.3 ttp180 -56.34 -35.98 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 7.8 mm-40 -63.82 -43.02 97.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 1.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.2 OUTLIER -65.83 -58.19 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 1.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.809 ' O ' HD12 ' B' ' 59' ' ' LEU . 12.3 m-85 -60.65 -23.91 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.64 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -76.44 -71.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' B' ' 58' ' ' SER . 29.4 p30 -53.15 -21.03 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 58.4 m -83.79 -48.89 9.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 1.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.809 HD12 ' O ' ' B' ' 55' ' ' TYR . 3.2 mt -58.55 -24.16 60.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 1.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -43.13 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.6 HD23 ' HG ' ' B' ' 63' ' ' LEU . 10.1 tp -91.74 140.27 25.03 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.524 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.6 Cg_endo -74.89 55.52 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 1.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.6 ' HG ' HD23 ' B' ' 61' ' ' LEU . 15.7 mt -54.48 167.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' B' ' 85' ' ' SER . . . -135.51 61.95 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 1.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.808 HG22 ' HB ' ' B' ' 84' ' ' VAL . 86.0 t -77.47 137.77 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -156.79 137.73 13.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.691 ' N ' HG11 ' B' ' 15' ' ' VAL . 14.8 tp -67.22 143.42 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 11.0 p -125.89 -54.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 1.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' B' ' 70' ' ' GLU . 0.1 OUTLIER -178.83 -163.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.697 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 10.1 mm-40 57.76 116.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 1.007 HG11 HG23 ' B' ' 8' ' ' THR . 42.2 t -157.1 68.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.78 ' NH1' HD13 ' A' ' 115' ' ' LEU . 4.8 ptt180 -72.35 102.19 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.595 ' HB1' ' HE3' ' B' ' 7' ' ' MET . . . -101.3 124.92 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 40' ' ' VAL . 1.6 p -175.77 159.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.37 49.49 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 109.347 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 49.49 38.6 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.611 ' HB3' ' CE1' ' B' ' 100' ' ' HIS . 17.8 mt-10 -141.48 169.76 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 1.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.03 110.74 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB3' ' CD ' ' B' ' 72' ' ' ARG . . . -109.27 103.92 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 34.0 p90 -109.65 157.14 19.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.697 ' HB3' ' HB2' ' B' ' 70' ' ' GLU . . . -111.53 115.74 29.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.602 ' CD2' HG13 ' B' ' 65' ' ' VAL . 32.1 p90 -124.54 171.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 1.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -103.86 158.96 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.415 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.808 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.3 OUTLIER -148.68 101.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.804 ' HB2' ' HB3' ' B' ' 64' ' ' ALA . 0.9 OUTLIER -86.04 151.21 23.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 1.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 4.5 p90 -164.11 142.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 1.0 110.997 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 1.9 tm-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.374 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 3.0 ttt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.52 114.52 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.582 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 97.1 m -126.98 154.03 45.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.418 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -128.27 121.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.776 HG13 HG13 ' B' ' 121' ' ' ILE . 4.2 t -100.32 164.38 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -142.79 63.5 13.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.6 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 167.23 27.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 1.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.775 HD11 ' OE1' ' A' ' 70' ' ' GLU . 27.6 mt -115.87 115.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.65 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -88.67 139.63 30.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' B' ' 77' ' ' GLU . 67.2 t60 -130.21 125.29 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 1.0 109.635 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.439 ' CE1' ' SD ' ' B' ' 112' ' ' MET . 17.6 m-30 -118.96 148.0 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 1.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.404 ' CB ' ' HG2' ' B' ' 77' ' ' GLU . 2.6 ttp180 -130.1 123.06 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' B' ' 108' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.707 ' O ' HG23 ' B' ' 110' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.422 HG23 ' CE1' ' B' ' 103' ' ' PHE . 91.9 t -52.2 116.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 108' ' ' LYS . 72.4 t -113.74 -13.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.37 119.32 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.766 ' HG2' HG13 ' B' ' 36' ' ' VAL . 2.4 ttp -129.44 127.2 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 1.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -145.69 138.25 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 1.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.787 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . . . -105.35 160.51 15.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.72 97.81 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 6.1 m-85 -98.67 -173.15 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.906 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -167.01 -172.56 34.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 1.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -113.9 4.16 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 1.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 3.63 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.473 ' OD1' ' CA ' ' B' ' 117' ' ' GLY . 7.3 p-10 -110.6 27.96 9.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.906 HD11 ' O ' ' B' ' 117' ' ' GLY . 3.3 mp -126.48 140.66 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.425 ' C ' HG23 ' B' ' 93' ' ' THR . 7.8 m80 -129.64 103.44 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.655 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.98 147.3 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.93 177.5 46.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 109.294 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.414 ' O ' ' SD ' ' A' ' 7' ' ' MET . 14.2 p -125.48 155.5 71.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.566 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 18.4 Cg_endo -75.06 -28.17 9.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 1.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.65 -48.4 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.287 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.98 -41.64 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.786 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -58.18 -55.39 35.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 110.963 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -58.81 -48.75 80.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 1.0 110.378 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.34 75.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 29' ' ' LEU . 2.4 t -62.04 -38.54 81.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.914 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.3 t -63.05 -42.79 97.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.75 -53.76 54.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -59.42 -47.75 84.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.745 ' HA ' HD13 ' A' ' 29' ' ' LEU . 3.1 t80 -55.03 -47.44 74.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 11' ' ' VAL . 60.9 t -62.95 -66.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 1.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' VAL . . . -39.87 -34.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -51.69 18.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.638 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.6 tp -51.18 -51.84 49.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -43.18 95.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 1.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -11.7 58.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.07 49.95 43.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.549 1.156 . . . . 1.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HD12 ' A' ' 26' ' ' ILE . 19.5 t0 -112.48 78.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 1.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 7.9 mt -55.57 -57.81 10.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.59 -39.01 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 1.0 109.356 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -67.79 -67.47 1.96 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 1.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 22' ' ' ASP . 3.6 mt -43.0 -34.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 38.2 t -72.04 -46.25 59.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 1.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -65.74 -13.14 58.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -70.43 -66.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 1.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 43.4 p90 -87.51 177.48 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 1.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -46.46 170.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.645 ' O ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -100.92 -14.72 17.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -119.22 17.47 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -61.62 174.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.239 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.82 HG22 ' CB ' ' A' ' 46' ' ' SER . 11.6 p -128.92 133.32 47.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.683 HG23 HG12 ' A' ' 51' ' ' ILE . 43.3 t -103.96 148.32 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 113' ' ' ARG . 1.8 tm-20 -153.49 90.02 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.599 ' HB2' ' HB3' ' A' ' 114' ' ' ALA . 2.7 p-10 -150.73 148.01 22.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.594 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.6 Cg_endo -74.97 -70.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.98 -2.508 . . . . 1.0 110.998 -0.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.584 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.38 160.26 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 124.02 -41.21 1.78 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.8 m 150.52 -175.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 1.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.89 66.86 0.31 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 1.0 110.339 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.02 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.429 1.752 . . . . 1.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 44' ' ' PRO . 4.5 mmp_? -152.44 148.51 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 1.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.82 ' CB ' HG22 ' A' ' 35' ' ' THR . 40.2 p -146.93 137.34 23.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 1.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 121.06 4.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.593 1.183 . . . . 1.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -46.98 -24.34 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 1.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.04 81.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.683 HG12 HG23 ' A' ' 36' ' ' VAL . 83.8 mt -52.73 -54.51 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 1.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -44.98 84.05 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 1.0 110.324 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.22 -47.4 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -63.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 1.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 51' ' ' ILE . 3.9 m-85 -43.88 -30.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.47 -53.44 10.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -54.83 -23.75 19.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -50.83 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -63.58 -15.77 59.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -57.56 -20.37 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' HD2' ' A' ' 62' ' ' PRO . 11.5 tp -94.51 137.18 22.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.615 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.02 62.62 5.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 1.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -109.14 166.09 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.49 116.31 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.94 137.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 1.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 83' ' ' THR . 19.8 tt0 -163.26 149.53 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.754 ' CD1' ' CZ ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -77.96 170.85 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 1.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.519 HG22 ' OG1' ' A' ' 83' ' ' THR . 0.2 OUTLIER -169.66 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.0 110.372 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' NE2' HG23 ' A' ' 68' ' ' THR . 22.5 mp0 -77.81 -90.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -176.66 -178.38 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 1.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.731 HG13 ' CD1' ' A' ' 80' ' ' PHE . 21.7 t -129.92 125.98 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.535 HH21 ' HA3' ' B' ' 117' ' ' GLY . 4.7 mmp_? -107.52 94.6 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 1.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.899 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -89.64 118.5 29.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 73' ' ' ALA . 1.4 t -173.85 158.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.647 ' HB2' ' CG1' ' B' ' 40' ' ' VAL . . . 58.52 47.18 13.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 1.6 p-10 45.64 28.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.077 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.515 ' OE2' HD21 ' B' ' 115' ' ' LEU . 14.2 pt-20 -144.13 133.65 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 1.0 110.319 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -102.79 113.29 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.917 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -111.67 103.16 11.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.731 ' CD1' HG13 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -117.13 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . . . -121.35 109.96 15.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.84 ' CE2' HG21 ' A' ' 15' ' ' VAL . 15.1 m-85 -106.36 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.519 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -123.68 141.48 51.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 1.2 m -119.85 114.93 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.643 ' HA ' HG23 ' A' ' 94' ' ' VAL . 47.4 t -95.1 125.4 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 1.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.499 ' HE1' HG23 ' A' ' 95' ' ' VAL . 1.1 p90 -166.21 152.19 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 1.0 110.302 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 92' ' ' LYS . 1.7 mtpm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 92.6 m -157.67 153.25 26.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.643 HG23 ' HA ' ' A' ' 85' ' ' SER . 1.4 p -135.03 111.1 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.529 1.143 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 121' ' ' ILE . 21.9 t -84.31 167.6 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -143.24 70.06 18.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . 18.5 Cg_endo -74.98 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.766 . . . . 1.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.74 HD12 ' HE ' ' B' ' 72' ' ' ARG . 3.2 mt -115.34 122.15 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.635 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 1.0 OUTLIER -95.45 120.13 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.917 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 1.6 t-160 -113.88 99.64 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 1.0 109.534 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 10.6 m-30 -86.99 141.02 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -114.63 102.42 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 1.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 7' ' ' MET . 47.3 m-85 -79.86 117.81 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.326 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 109' ' ' VAL . 12.7 t -52.63 116.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.23 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 108' ' ' LYS . 54.5 t -113.33 0.69 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -160.99 108.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.3 ptp -118.97 129.78 55.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 1.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -128.22 171.82 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -134.8 158.74 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 1.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.549 HD23 HG12 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -138.52 112.87 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 39' ' ' PRO . 6.1 m-85 -105.53 -175.27 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 1.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.428 ' H ' ' ND2' ' A' ' 120' ' ' ASN . . . -157.46 -173.62 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 1.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -25.8 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 1.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.437 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 0.1 OUTLIER -100.9 7.41 43.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 29.6 p-10 -97.99 23.78 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 2.7 mt -129.76 137.11 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -124.49 103.13 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 1.0 109.684 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.51 ' HA ' ' HG1' ' A' ' 93' ' ' THR . . . -77.85 172.98 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 160.0 -177.59 36.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 1.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.74 . . . . 1.0 109.361 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.401 ' C ' ' CG ' ' B' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.502 0.191 . . . . 1.0 110.978 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.401 ' CG ' ' C ' ' B' ' 1' ' ' MET . 0.5 OUTLIER 40.36 57.34 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.469 ' O ' ' SD ' ' B' ' 7' ' ' MET . 0.7 OUTLIER -46.15 155.14 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.0 110.44 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -41.3 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 1.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 2.4 mt-10 -63.64 -28.5 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -77.24 -66.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.793 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 1.2 ptt? -52.34 -40.08 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 1.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' B' ' 73' ' ' ALA . 90.2 m -70.1 -43.75 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 1.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -58.9 -35.16 72.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.04 -49.56 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' B' ' 80' ' ' PHE . 2.6 t -52.85 -38.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.45 -54.9 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -28.45 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' B' ' 15' ' ' VAL . 0.8 OUTLIER -69.86 -50.03 46.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 111.05 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' B' ' 14' ' ' TYR . 3.2 t -57.65 -46.74 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 1.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.41 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.83 59.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 1.0 109.27 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.493 ' HA ' HD11 ' B' ' 26' ' ' ILE . 13.5 tp -59.54 -52.81 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -59.58 -28.8 67.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.95 -26.68 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 1.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 87.73 20.22 51.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 1.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.534 ' O ' HD12 ' B' ' 26' ' ' ILE . 8.5 t0 -72.96 74.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 1.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.877 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -55.77 -35.39 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -72.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.88 -27.68 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 1.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.595 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 50.7 mt -77.13 -51.81 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 1.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.877 HG23 ' O ' ' B' ' 23' ' ' LEU . 88.8 t -62.82 -13.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 1.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.37 -28.57 12.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -49.69 -40.81 41.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' B' ' 51' ' ' ILE . 3.6 p90 -114.43 -178.85 3.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.76 169.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.677 ' O ' HG23 ' B' ' 48' ' ' THR . 0.2 OUTLIER -98.86 -15.84 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -117.87 12.74 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.711 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -52.11 152.52 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -108.71 109.66 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 1.0 110.453 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.583 HG11 ' CD2' ' B' ' 54' ' ' PHE . 92.3 t -90.07 149.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.9 OUTLIER -137.19 75.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.841 ' OD1' ' HB2' ' B' ' 114' ' ' ALA . 0.1 OUTLIER -147.32 128.64 7.23 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 1.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.437 ' HB2' ' H ' ' B' ' 40' ' ' VAL . 18.0 Cg_endo -75.1 -143.55 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.944 0.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.647 ' CG1' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -115.24 158.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 1.0 109.386 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 125.18 -38.74 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 1.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.73 171.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.436 0.727 . . . . 1.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.27 80.64 0.21 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.266 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -168.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.583 1.833 . . . . 1.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -153.08 85.41 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' B' ' 34' ' ' ALA . 84.7 p -105.45 145.3 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 94.04 131.32 6.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.576 1.172 . . . . 1.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.677 HG23 ' O ' ' B' ' 32' ' ' ASP . 12.1 p -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 1.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -65.2 -65.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.34 -55.07 35.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.711 HD11 ' O ' ' B' ' 34' ' ' ALA . 54.7 mt -44.72 -43.25 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -65.92 -45.89 80.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 1.0 110.212 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.31 -33.56 71.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.0 110.343 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.583 ' CD2' HG11 ' B' ' 36' ' ' VAL . 1.6 t80 -72.76 -71.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 1.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' B' ' 51' ' ' ILE . 18.5 m-85 -48.9 -43.43 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.512 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -62.28 -63.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 22.5 t-20 -49.48 -24.39 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -75.23 -58.14 3.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.105 . . . . 1.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.2 OUTLIER -57.04 -19.64 19.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 1.0 109.362 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -47.0 -25.3 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 1.0 109.302 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.527 HD12 ' HD2' ' B' ' 62' ' ' PRO . 11.1 tp -88.22 139.56 30.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 65.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 1.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -117.4 -177.25 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 1.0 109.251 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.96 100.86 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.655 HG13 ' CD2' ' B' ' 82' ' ' PHE . 24.2 t -84.27 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 1.0 109.369 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -166.35 146.23 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.467 ' C ' HG22 ' B' ' 68' ' ' THR . 3.1 mt -76.3 176.27 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.49 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.0 OUTLIER 170.65 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 1.0 110.431 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.637 ' OE1' ' HB3' ' B' ' 81' ' ' ALA . 8.8 tm0? -74.58 -78.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.579 ' CB ' ' NE2' ' B' ' 69' ' ' GLN . 0.0 OUTLIER 171.05 177.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.239 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.903 HG22 ' CB ' ' B' ' 80' ' ' PHE . 61.4 t -126.81 146.51 32.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.74 ' HE ' HD12 ' A' ' 98' ' ' ILE . 6.3 tpp180 -116.22 72.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.793 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -78.56 120.5 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -177.76 156.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.434 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 57.1 52.63 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 45.17 26.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.312 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' B' ' 7' ' ' MET . 11.3 mt-10 -131.98 166.99 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -137.16 97.5 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.54 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -105.57 94.94 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.903 ' CB ' HG22 ' B' ' 71' ' ' VAL . 36.4 p90 -114.46 170.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.637 ' HB3' ' OE1' ' B' ' 69' ' ' GLN . . . -134.9 132.8 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.655 ' CD2' HG13 ' B' ' 65' ' ' VAL . 42.8 p90 -133.26 174.71 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.49 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.6 OUTLIER -106.2 163.85 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 1.0 110.427 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.6 OUTLIER -142.13 125.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.342 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -96.82 116.35 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 1.0 110.047 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.606 ' CE1' HG23 ' B' ' 95' ' ' VAL . 1.2 p90 -154.27 143.34 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.778 ' HD2' ' HB1' ' B' ' 123' ' ' ALA . 1.2 ptt180 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.324 -0.25 . . . . 1.0 110.324 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.403 ' C ' ' OG1' ' B' ' 93' ' ' THR . 4.7 mttt -80.06 153.36 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.57 HG22 ' CG2' ' B' ' 121' ' ' ILE . 4.0 m -155.28 146.72 22.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.456 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.4 OUTLIER -124.4 120.62 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.885 HG22 HG12 ' B' ' 121' ' ' ILE . 61.3 t -99.67 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -137.65 72.65 49.31 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.487 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.5 Cg_endo -74.99 159.53 41.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 1.2 mt -115.33 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.606 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 2.1 m-20 -101.9 124.28 47.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -117.07 103.46 10.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.627 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.474 ' CD2' HG22 ' B' ' 11' ' ' VAL . 11.5 m-30 -102.09 160.22 14.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -137.19 130.11 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.695 ' CD2' HG22 ' B' ' 109' ' ' VAL . 10.0 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.695 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.4 t -91.0 118.35 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.562 ' O ' HG12 ' B' ' 110' ' ' VAL . 73.0 t -134.54 10.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -146.8 131.54 17.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.531 ' CE ' HG22 ' B' ' 36' ' ' VAL . 3.3 mtm -150.26 142.93 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 1.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -148.76 165.95 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 110.355 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.841 ' HB2' ' OD1' ' B' ' 38' ' ' ASP . . . -135.53 168.19 19.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 1.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.515 HD21 ' OE2' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -152.39 105.11 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.724 ' O ' HG21 ' A' ' 74' ' ' VAL . 7.3 p90 -115.39 127.58 55.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.535 ' HA3' HH21 ' A' ' 72' ' ' ARG . . . -109.08 -172.32 20.97 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.437 1.085 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 1.4 mp0 -110.65 2.69 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 1.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' LYS . . . . . 0.466 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -108.98 18.21 20.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.504 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 2.8 p30 -131.59 43.84 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.885 HG12 HG22 ' B' ' 95' ' ' VAL . 3.2 mt -133.29 147.24 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.456 ' HB2' HG12 ' B' ' 94' ' ' VAL . 2.9 m80 -137.7 115.22 11.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 1.0 109.602 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.778 ' HB1' ' HD2' ' B' ' 91' ' ' ARG . . . -79.6 167.59 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.91 173.29 38.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 1.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 1.0 109.248 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.482 ' O ' ' SD ' ' A' ' 7' ' ' MET . 47.9 p -113.28 155.38 44.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.49 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.1 Cg_endo -75.09 -37.45 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 1.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.9 tm-20 -67.3 -28.49 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.445 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 2.4 t-80 -77.0 -65.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.807 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -51.59 -43.84 62.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.643 HG23 HG11 ' A' ' 71' ' ' VAL . 91.2 m -66.55 -45.86 78.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.47 -33.81 68.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 1.0 109.313 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG13 HD22 ' A' ' 29' ' ' LEU . 24.8 t -68.43 -49.11 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.71 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.4 t -51.52 -42.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -63.94 -49.06 74.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.23 -35.39 73.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.9 t80 -65.31 -49.43 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 1.0 110.992 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.85 -47.3 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.39 46.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 22' ' ' ASP . . . -50.17 -42.49 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.567 HD23 ' HB ' ' A' ' 65' ' ' VAL . 9.7 tp -56.83 -53.71 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 9.1 t-20 -61.04 -22.51 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.21 31.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 1.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.04 9.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 1.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.7 ' O ' HD12 ' A' ' 26' ' ' ILE . 14.7 t0 -96.44 71.14 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 1.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.924 HD11 ' HA ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -55.45 -40.02 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 1.0 109.322 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -72.47 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.88 -27.83 0.4 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 22' ' ' ASP . 32.0 mt -78.36 -48.25 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.893 HG21 ' HG3' ' A' ' 52' ' ' ARG . 68.7 t -68.07 -10.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.2 -26.46 12.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.556 HD22 HG13 ' A' ' 10' ' ' VAL . 1.9 mt -48.82 -37.85 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 1.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.4 p90 -115.81 -175.88 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.721 ' CB ' HG22 ' A' ' 110' ' ' VAL . . . -44.88 168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 1.004 ' O ' HG23 ' A' ' 48' ' ' THR . 0.2 OUTLIER -91.19 -17.69 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 1.0 109.398 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -125.51 26.85 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 1.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.91 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -60.01 166.42 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 45' ' ' ARG . 29.9 p -119.64 125.88 49.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.828 HG13 ' HE2' ' A' ' 112' ' ' MET . 3.5 t -104.4 139.53 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.489 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -133.02 55.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 1.9 p-10 -125.11 144.03 46.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.0 Cg_endo -75.02 -67.37 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.847 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -156.94 178.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.45 16.35 9.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 p 62.84 -177.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 1.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 68.12 62.81 0.68 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.02 152.68 40.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 1.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 35' ' ' THR . 6.6 mtt180 -101.32 166.61 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 110.239 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.424 ' CB ' HG22 ' A' ' 35' ' ' THR . 74.0 p -151.7 142.94 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 1.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.27 127.83 5.68 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.516 1.135 . . . . 1.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.004 HG23 ' O ' ' A' ' 32' ' ' ASP . 3.3 p -46.53 -25.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . . . -63.04 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.46 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.545 HG21 ' CE1' ' A' ' 30' ' ' PHE . 14.4 mt -54.8 -38.31 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.893 ' HG3' HG21 ' A' ' 27' ' ' VAL . 10.9 mtm105 -71.21 -66.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.2 -39.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 1.0 110.253 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE2' ' OD1' ' A' ' 38' ' ' ASP . 1.1 t80 -65.86 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 1.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.5 ' CB ' HD21 ' A' ' 23' ' ' LEU . 7.6 m-85 -56.04 -16.95 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.924 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -77.39 -66.43 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 1.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -60.18 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -75.46 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -57.46 -20.06 28.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 1.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -27.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 1.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.56 HD12 ' HD2' ' A' ' 62' ' ' PRO . 11.1 tp -76.78 139.27 66.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.56 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 64.39 6.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 1.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.13 -177.25 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.82 104.03 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.567 ' HB ' HD23 ' A' ' 18' ' ' LEU . 89.2 t -84.13 137.64 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 1.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -155.95 149.63 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' ' 68' ' ' THR . 2.6 mt -83.63 170.62 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER 177.8 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 1.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.545 ' NE2' ' HB2' ' A' ' 70' ' ' GLU . 11.3 tm0? -69.46 -76.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.545 ' HB2' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER 163.42 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.922 HG22 ' CB ' ' A' ' 80' ' ' PHE . 71.7 t -133.85 146.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.842 HH21 ' HB3' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -121.14 87.88 2.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.807 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -86.54 129.47 34.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 HG21 ' B' ' 40' ' ' VAL . 1.6 p -141.4 -150.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.795 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -40.68 94.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 1.0 109.233 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' VAL . 1.0 OUTLIER 37.22 31.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.539 ' OE1' HD21 ' B' ' 115' ' ' LEU . 1.9 tt0 -123.8 160.13 28.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -148.08 87.43 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.46 101.4 12.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.922 ' CB ' HG22 ' A' ' 71' ' ' VAL . 49.8 p90 -119.98 179.87 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.771 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -142.9 137.84 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 11.5 p90 -137.03 -179.86 5.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 1.0 111.055 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -115.52 160.24 20.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 1.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -134.71 120.95 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 48.2 m -95.84 117.25 30.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 1.4 p90 -154.82 151.21 28.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.31 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.552 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 4.4 m -154.24 146.07 23.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 1.0 110.376 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -132.71 119.85 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.764 HG22 HG12 ' A' ' 121' ' ' ILE . 48.5 t -102.03 166.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 1.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 120' ' ' ASN . . . -138.07 71.65 47.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.472 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.429 1.752 . . . . 1.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.771 HG12 ' HB2' ' A' ' 81' ' ' ALA . 10.9 mt -111.49 157.82 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.618 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.7 m-20 -136.07 144.93 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.559 ' NE2' ' CG2' ' A' ' 98' ' ' ILE . 15.8 m170 -132.02 91.61 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 1.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.71 ' CD2' HG22 ' A' ' 11' ' ' VAL . 4.6 m-30 -83.94 133.66 34.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 111' ' ' SER . 4.4 ttp180 -116.7 112.93 21.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 1.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.823 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -84.13 114.43 21.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 1.0 111.043 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.823 HG22 ' CD2' ' A' ' 103' ' ' PHE . 4.6 t -64.42 121.37 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 109.355 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.91 HG13 ' HA ' ' A' ' 34' ' ' ALA . 84.1 t -132.2 -62.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -80.14 114.8 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.965 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.828 ' HE2' HG13 ' A' ' 36' ' ' VAL . 1.7 ptm -139.99 133.53 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.791 ' HD3' HD12 ' A' ' 115' ' ' LEU . 4.4 tmm_? -136.12 146.84 47.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 110.236 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.529 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -110.68 172.65 6.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 1.0 109.38 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.915 HD23 ' CG2' ' B' ' 74' ' ' VAL . 0.1 OUTLIER -157.16 102.53 1.96 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 1.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -116.37 129.08 56.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -111.57 -173.83 19.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 1.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.641 ' HA ' HD12 ' A' ' 121' ' ' ILE . 1.2 mm-40 -110.5 23.56 14.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 1.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.48 ' HZ2' ' HB3' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -116.78 16.62 15.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.687 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -142.65 49.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.764 HG12 HG22 ' A' ' 95' ' ' VAL . 7.0 mt -135.18 136.57 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.357 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -129.1 138.66 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.541 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.82 161.58 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 161.61 176.17 33.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 1.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 1.0 109.314 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.427 0.156 . . . . 1.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.408 ' ND2' ' OD1' ' B' ' 76' ' ' ASN . 2.9 m-20 -89.24 62.25 6.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.162 . . . . 1.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.2 p -112.04 161.56 25.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 1.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -29.37 8.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 1.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.42 -43.99 84.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.85 -46.19 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.534 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -54.17 -52.37 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.0 111.04 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.04 -46.42 90.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 110.444 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.75 69.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.246 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.34 -45.47 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.668 HG22 ' CE1' ' B' ' 80' ' ' PHE . 6.6 t -61.24 -41.29 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -59.57 -51.26 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -59.98 -34.55 73.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -69.25 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 1.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 11' ' ' VAL . 48.9 t -63.63 -56.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -53.51 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 1.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.634 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -52.55 -48.04 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.232 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.756 HD23 HG11 ' B' ' 65' ' ' VAL . 15.4 tp -53.01 -53.95 42.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 65' ' ' VAL . 3.3 t-20 -62.05 -21.6 65.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.05 -12.57 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 1.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.449 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . 65.88 27.64 72.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.765 ' O ' HD12 ' B' ' 26' ' ' ILE . 33.5 m-20 -76.07 97.62 4.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 1.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 1.8 mt -70.2 -59.04 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 1.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.74 -34.33 72.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 1.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.48 -66.84 2.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.765 HD12 ' O ' ' B' ' 22' ' ' ASP . 12.9 mt -46.34 -37.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.551 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.4 t -68.22 -39.77 81.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -71.32 -17.0 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -64.29 -59.04 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.64 ' HE2' HG22 ' B' ' 26' ' ' ILE . 25.5 p90 -98.86 -177.76 3.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -48.02 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 1.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 1.01 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -104.03 -14.86 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -115.96 16.2 16.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -66.94 165.18 16.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.685 HG22 ' CB ' ' B' ' 46' ' ' SER . 2.0 p -118.56 133.7 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 1.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.682 HG23 HG12 ' B' ' 51' ' ' ILE . 25.1 t -107.22 138.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 1.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 2.8 mt-10 -137.78 97.79 3.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.258 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.552 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 2.9 t0 -143.55 122.65 7.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.552 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.0 -87.03 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.992 -2.503 . . . . 1.0 111.006 -0.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.817 HG21 HG11 ' A' ' 74' ' ' VAL . 2.0 t -136.38 141.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.383 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.2 27.42 39.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 1.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 16.1 m -111.57 62.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 1.0 109.938 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 41.11 86.67 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.346 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.03 144.73 30.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 1.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.469 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 10.2 mpt_? -87.81 150.16 23.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.685 ' CB ' HG22 ' B' ' 35' ' ' THR . 19.4 p -136.05 104.45 5.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.028 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.67 157.9 10.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 1.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' THR . . . . . 1.01 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.5 p -60.34 -26.75 66.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 1.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.44 -68.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -56.16 -52.01 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 1.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.682 HG12 HG23 ' B' ' 36' ' ' VAL . 5.2 mt -46.36 -46.07 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' B' ' 53' ' ' GLU . 55.0 ttp85 -61.76 -62.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 52' ' ' ARG . 0.0 OUTLIER -45.15 -36.06 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.487 ' CD2' ' N ' ' B' ' 55' ' ' TYR . 9.8 t80 -69.5 -68.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 1.0 110.952 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.564 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.4 m-85 -43.98 -27.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.24 -51.33 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.37 -36.13 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -69.93 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.564 HD12 ' O ' ' B' ' 55' ' ' TYR . 1.0 OUTLIER -54.45 -19.78 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -40.96 -29.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 1.0 109.242 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.881 HD11 ' O ' ' B' ' 87' ' ' GLU . 13.9 tp -99.7 137.49 20.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 1.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 54.65 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.516 1.798 . . . . 1.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' B' ' 85' ' ' SER . 0.2 OUTLIER -78.97 -177.66 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 106.45 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.756 HG11 HD23 ' B' ' 18' ' ' LEU . 37.3 t -87.03 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -162.85 129.13 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 1.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' B' ' 81' ' ' ALA . 5.5 mt -59.89 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.423 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.35 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -85.18 -98.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -174.57 -179.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.903 HG22 ' CB ' ' B' ' 80' ' ' PHE . 84.3 t -119.6 139.29 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 1.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.422 ' HG2' HD12 ' A' ' 98' ' ' ILE . 6.6 mpt_? -117.53 86.49 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 1.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -84.13 128.36 34.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.915 ' CG2' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -141.93 -150.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.481 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -45.42 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.2 OUTLIER 35.1 36.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.563 ' OE2' ' CE1' ' B' ' 100' ' ' HIS . 2.7 mt-10 -136.76 106.24 6.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -101.66 97.02 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.693 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -107.21 108.31 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.903 ' CB ' HG22 ' B' ' 71' ' ' VAL . 8.9 p90 -123.45 153.23 40.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 1.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.498 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -107.91 130.68 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 109.282 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.629 ' CE2' ' CG1' ' B' ' 84' ' ' VAL . 6.7 p90 -135.96 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 1.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.423 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.51 161.24 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 110.412 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.629 ' CG1' ' CE2' ' B' ' 82' ' ' PHE . 4.2 m -149.18 124.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' B' ' 93' ' ' THR . 73.5 m -104.04 116.55 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 1.0 110.036 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.586 ' CZ ' ' CG2' ' B' ' 84' ' ' VAL . 13.4 m-30 -104.48 172.9 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 1.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.881 ' O ' HD11 ' B' ' 61' ' ' LEU . 28.6 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 110.233 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 1.2 mtp180 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.426 ' HG3' ' HB3' ' B' ' 125' ' ' ALA . 0.1 OUTLIER -156.15 141.73 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' B' ' 85' ' ' SER . 2.6 m -136.01 166.64 22.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 1.0 110.448 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.745 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.8 t -142.9 86.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.906 HG22 ' CG1' ' B' ' 121' ' ' ILE . 54.6 t -87.99 147.24 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.538 ' O ' ' CZ ' ' A' ' 72' ' ' ARG . . . -122.76 72.17 41.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.741 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.2 Cg_endo -74.95 168.46 24.78 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 1.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.498 HG12 ' CB ' ' B' ' 81' ' ' ALA . 71.6 mt -123.16 115.61 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -86.26 142.0 28.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.693 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 16.5 t-160 -136.16 101.72 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.639 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' B' ' 101' ' ' PHE . 9.2 m-30 -101.32 129.82 47.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -116.57 123.55 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 1.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' B' ' 108' ' ' LYS . 1.2 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.777 ' O ' HG23 ' B' ' 110' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.279 -0.638 . . . . 1.0 109.279 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 15.8 t -44.76 119.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 1.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 108' ' ' LYS . 48.9 t -123.5 0.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 27.6 m -159.51 124.16 3.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 1.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.434 ' HE3' ' CE1' ' B' ' 30' ' ' PHE . 2.3 ptp -129.81 121.73 27.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.45 121.92 46.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.537 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -98.76 94.16 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.539 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -71.77 116.36 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.493 ' CG ' ' HB3' ' B' ' 39' ' ' PRO . 2.5 m-85 -101.29 -168.73 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.445 ' N ' ' NH1' ' A' ' 72' ' ' ARG . . . -168.29 -173.85 36.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.462 1.101 . . . . 1.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -135.79 9.69 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 0.814 . . . . 1.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -116.89 -7.66 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.842 ' HB3' HH21 ' A' ' 72' ' ' ARG . 2.0 m120 -118.45 36.65 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.906 ' CG1' HG22 ' B' ' 95' ' ' VAL . 2.3 mp -122.61 140.3 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -123.49 82.99 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0 109.648 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.8 145.24 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.09 42.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 1.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.426 ' HB3' ' HG3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 1.0 109.379 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.555 ' OG1' ' CG ' ' A' ' 6' ' ' HIS . 1.4 p -111.17 157.43 38.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.471 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.3 Cg_endo -75.02 -37.28 2.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 1.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.1 mt-10 -69.14 -27.3 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.555 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 0.4 OUTLIER -77.77 -64.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.601 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.768 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 1.6 ptt? -53.08 -39.15 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.785 HG23 HG11 ' A' ' 71' ' ' VAL . 91.5 m -71.17 -45.1 64.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 1.0 110.345 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -56.57 -42.68 79.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.646 HG13 HD22 ' A' ' 29' ' ' LEU . 2.7 t -66.22 -43.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.773 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.7 t -54.44 -39.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -58.27 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.66 -28.19 45.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.587 ' HB2' HD13 ' A' ' 29' ' ' LEU . 3.2 t80 -72.15 -48.71 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.29 -46.17 81.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.35 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.94 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.646 ' HA ' HD11 ' A' ' 26' ' ' ILE . 13.5 tp -63.44 -58.64 6.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -58.54 -19.94 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.94 -32.81 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 97.07 47.64 2.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.152 . . . . 1.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.692 ' O ' HD12 ' A' ' 26' ' ' ILE . 8.7 m-20 -103.84 88.74 3.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 0.779 . . . . 1.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -70.91 -61.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -43.12 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.27 -55.91 27.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 1.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 22' ' ' ASP . 60.1 mt -57.18 -42.93 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 0.802 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 23' ' ' LEU . 99.2 t -63.3 -26.35 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.76 -22.3 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.227 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.646 HD22 HG13 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -53.03 -45.47 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 5.8 p90 -111.91 -177.94 3.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 1.0 111.0 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.669 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -45.25 168.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 48' ' ' THR . 20.5 m-20 -98.22 -13.82 20.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.65 22.48 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -68.43 160.64 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' CB ' ' A' ' 46' ' ' SER . 35.3 p -110.01 139.0 45.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.428 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.669 HG11 ' CE2' ' A' ' 54' ' ' PHE . 2.1 t -122.59 142.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HG2' ' NH1' ' A' ' 113' ' ' ARG . 10.0 tp10 -131.57 80.7 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 1.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.626 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -131.92 135.99 27.57 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 1.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.626 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.95 -77.83 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.048 -2.48 . . . . 1.0 110.972 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG12 HH21 ' A' ' 113' ' ' ARG . 0.0 OUTLIER -159.42 159.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 136.28 -47.45 0.97 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.3 t 151.69 177.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 1.0 109.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' N ' ' OG ' ' A' ' 42' ' ' SER . 1.2 mt-10 68.49 63.4 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.05 143.55 29.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 1.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -99.16 178.57 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 1.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.488 ' CB ' HG22 ' A' ' 35' ' ' THR . 82.3 p -173.16 155.44 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 89.77 131.37 4.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 1.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 32' ' ' ASP . 69.4 p -41.25 -28.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 1.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.27 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 1.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -61.3 -51.44 68.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.526 HG23 ' CE1' ' A' ' 55' ' ' TYR . 8.6 mt -48.15 -48.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG2' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -58.16 -48.45 80.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 1.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -36.14 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 1.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.669 ' CE2' HG11 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -72.89 -69.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.0 110.964 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.597 ' CE2' HG21 ' A' ' 26' ' ' ILE . 21.2 m-85 -47.85 -44.04 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.715 ' HA ' HD21 ' A' ' 23' ' ' LEU . . . -62.48 -63.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 109.371 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -46.75 -30.02 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 1.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.709 HD13 ' CD2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -20.06 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 -29.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 59' ' ' LEU . 12.4 tp -104.25 122.2 44.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 1.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.27 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.393 1.733 . . . . 1.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.835 HD12 ' H ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -139.79 -176.11 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.6 88.52 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.385 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.944 HG22 ' HB ' ' A' ' 84' ' ' VAL . 46.7 t -91.43 137.83 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -165.09 150.03 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.426 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.1 mt -75.69 142.08 42.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 1.0 109.216 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.529 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.6 t -179.96 68.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 110.412 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.2 tt0 -171.43 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 8.9 tp10 174.24 153.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.896 HG22 ' CB ' ' A' ' 80' ' ' PHE . 83.9 t -124.57 104.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.679 HH21 ' C ' ' B' ' 96' ' ' ALA . 0.4 OUTLIER -80.23 85.16 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.768 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -92.37 100.36 12.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.944 ' CG1' HG21 ' B' ' 40' ' ' VAL . 2.5 t -158.31 148.44 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB3' HG11 ' B' ' 40' ' ' VAL . . . 56.07 48.58 17.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 1.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 48.57 30.48 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.268 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 1.4 mm-40 -132.94 117.66 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.597 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -102.91 96.57 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 1.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.99 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -101.22 91.99 4.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.896 ' CB ' HG22 ' A' ' 71' ' ' VAL . 35.4 p90 -110.76 148.59 32.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -114.02 119.93 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 12.1 p90 -120.89 -175.25 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.529 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -122.15 164.65 17.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 110.415 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.944 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -152.76 123.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -93.96 125.4 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.993 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.908 ' CE1' HG23 ' A' ' 95' ' ' VAL . 4.5 p90 -146.35 132.11 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.255 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.325 -0.621 . . . . 1.0 109.325 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.589 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 74.7 m -126.0 147.45 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.431 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 94' ' ' VAL . 2.7 p -126.45 111.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.908 HG23 ' CE1' ' A' ' 86' ' ' PHE . 77.4 t -89.43 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -123.84 71.9 51.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.066 . . . . 1.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.785 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.4 Cg_endo -74.99 160.89 39.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.582 1.833 . . . . 1.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.93 HD12 ' HD2' ' B' ' 72' ' ' ARG . 8.5 mt -120.86 114.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -90.66 135.73 33.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 1.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.99 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 4.3 t-160 -120.93 86.27 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.773 ' CD2' HG22 ' A' ' 11' ' ' VAL . 4.1 m-30 -69.54 150.34 47.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -128.14 106.85 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 25.0 m-85 -95.12 122.97 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.687 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 43.7 t -61.99 116.11 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 31' ' ' ALA . 46.5 t -134.28 9.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 1.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 1.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.499 ' HG3' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -162.09 141.3 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.751 HH21 HG12 ' A' ' 40' ' ' VAL . 40.3 ttt85 -137.16 129.19 29.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.53 163.02 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.586 HD22 ' HG3' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -144.61 105.1 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.346 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -121.66 126.18 48.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.386 1.054 . . . . 1.0 111.036 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.609 ' O ' HD12 ' A' ' 121' ' ' ILE . . . -114.62 172.78 14.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 1.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.69 -20.23 47.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 1.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 15.06 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.451 ' ND2' ' OE2' ' B' ' 70' ' ' GLU . 4.2 m-20 -114.13 -11.01 12.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.753 ' CG1' HG22 ' A' ' 95' ' ' VAL . 3.8 mp -93.22 135.74 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -127.34 91.87 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.636 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.38 154.87 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.17 177.37 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 1.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.461 0.742 . . . . 1.0 109.303 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.503 0.192 . . . . 1.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -178.58 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.622 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -152.98 154.79 31.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 110.456 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.37 4.67 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 1.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 46.8 tt0 -65.52 -44.45 86.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.622 ' HB2' HG23 ' B' ' 3' ' ' THR . 4.1 t60 -70.17 -43.61 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.549 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.427 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -59.23 -59.15 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 111.008 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -58.44 -38.59 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -55.47 -50.73 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' B' ' 103' ' ' PHE . 54.9 t -58.43 -46.98 89.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.616 ' CG1' ' CD1' ' B' ' 80' ' ' PHE . 2.9 t -56.38 -40.2 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.78 -46.83 83.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -59.71 -38.38 81.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.468 ' CD2' ' CZ ' ' B' ' 101' ' ' PHE . 17.2 t80 -63.51 -52.91 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 t -53.48 -54.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.18 . . . . 1.0 109.309 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -55.44 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.487 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -51.29 -35.61 38.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.587 ' HA ' HD11 ' B' ' 26' ' ' ILE . 9.7 tp -63.79 -53.8 45.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.72 -18.09 63.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 1.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.78 -15.74 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.495 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 78.65 12.68 83.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 1.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.639 ' O ' HD12 ' B' ' 26' ' ' ILE . 0.7 OUTLIER -65.32 90.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 0.804 . . . . 1.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -72.12 -73.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.74 -39.91 78.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -56.71 23.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.639 HD12 ' O ' ' B' ' 22' ' ' ASP . 57.7 mt -53.28 -42.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.748 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.914 HG21 ' CB ' ' B' ' 52' ' ' ARG . 87.3 t -62.73 -32.01 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.63 -19.87 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.492 HD23 ' O ' ' B' ' 29' ' ' LEU . 6.4 tt -50.62 -39.01 49.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 1.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.987 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.1 p90 -117.39 -175.15 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.38 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.711 ' O ' HG22 ' B' ' 48' ' ' THR . 0.3 OUTLIER -94.85 -11.02 29.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.361 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.47 15.81 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.612 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -55.05 159.09 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.56 HG22 ' CB ' ' B' ' 46' ' ' SER . 45.8 p -109.6 122.44 47.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.699 HG21 HG23 ' B' ' 51' ' ' ILE . 14.3 t -112.64 138.14 42.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 1.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -116.98 73.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 110.245 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.591 ' OD1' ' CD2' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -105.69 134.45 19.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 1.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.741 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.7 Cg_endo -74.96 -44.65 0.54 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.084 -2.465 . . . . 1.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.944 HG21 ' CG1' ' A' ' 74' ' ' VAL . 2.0 t -124.21 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.771 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -52.07 -19.36 5.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 5.6 t -60.14 82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 0.782 . . . . 1.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER 86.17 86.59 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 110.264 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.7 14.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 1.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.61 ' HG2' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -147.14 154.58 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.329 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.56 ' CB ' HG22 ' B' ' 35' ' ' THR . 82.5 p -150.44 133.05 15.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 1.0 110.067 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 115.79 123.36 3.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.162 . . . . 1.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.711 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -43.59 -25.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 110.385 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -67.62 -50.85 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.61 ' HB1' ' HG2' ' B' ' 45' ' ' ARG . . . -68.62 -38.29 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.987 HG21 ' CE1' ' B' ' 30' ' ' PHE . 30.7 mt -59.65 -59.41 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.914 ' CB ' HG21 ' B' ' 27' ' ' VAL . 22.6 ptt180 -62.85 -27.16 69.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' B' ' 57' ' ' ASN . 14.3 tp10 -61.03 -62.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 1.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.591 ' CD2' ' OD1' ' B' ' 38' ' ' ASP . 3.6 t80 -58.28 -49.72 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.193 . . . . 1.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.918 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.8 m-85 -60.75 -25.18 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 1.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.716 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -75.28 -72.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 1.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 53' ' ' GLU . 0.9 OUTLIER -52.23 -26.25 11.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 25.6 t -73.62 -53.57 10.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.062 . . . . 1.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.918 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.3 OUTLIER -58.74 -23.08 59.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -43.78 -26.73 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' B' ' 86' ' ' PHE . 12.0 tp -91.44 116.28 66.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 1.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.599 HD12 ' H ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -148.28 -176.17 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.41 102.44 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.691 HG13 ' CD2' ' B' ' 82' ' ' PHE . 6.4 t -92.99 142.07 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -155.7 141.99 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' B' ' 80' ' ' PHE . 0.7 OUTLIER -78.2 118.32 20.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -117.69 -25.29 6.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.639 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 4.8 mt-30 -93.13 -171.15 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' ND2' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -87.89 -175.53 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.878 HG22 ' CB ' ' B' ' 80' ' ' PHE . 99.1 t -141.62 119.65 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.93 ' HD2' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -90.22 91.39 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.11 119.1 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 177.35 162.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 1.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 41' ' ' GLY . . . 53.03 54.91 9.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 44.07 32.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 1.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.418 ' HB3' ' NE2' ' B' ' 100' ' ' HIS . 2.9 mt-10 -135.18 162.76 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -153.52 103.68 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.855 ' HB3' ' CG ' ' B' ' 72' ' ' ARG . . . -107.81 106.3 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.878 ' CB ' HG22 ' B' ' 71' ' ' VAL . 29.0 p90 -111.59 142.55 43.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -108.25 132.23 53.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.691 ' CD2' HG13 ' B' ' 65' ' ' VAL . 40.4 p90 -140.97 172.54 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.1 OUTLIER -107.56 160.88 15.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 1.0 110.419 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.506 HG13 ' CD ' ' B' ' 97' ' ' PRO . 0.6 OUTLIER -137.27 116.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.0 109.269 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -96.83 110.54 23.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.477 1.111 . . . . 1.0 109.967 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' B' ' 93' ' ' THR . 5.8 p90 -139.78 137.14 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.481 ' HB2' ' CB ' ' B' ' 92' ' ' LYS . 56.2 tt0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 1.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.305 -0.257 . . . . 1.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.481 ' CB ' ' HB2' ' B' ' 87' ' ' GLU . 9.4 tttm -104.19 157.47 17.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.715 HG22 HG23 ' B' ' 121' ' ' ILE . 5.0 m -155.73 146.1 21.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.471 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -125.87 117.96 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 1.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.876 HG22 HG12 ' B' ' 121' ' ' ILE . 57.9 t -100.86 166.59 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.692 ' HB3' ' ND2' ' B' ' 120' ' ' ASN . . . -137.35 71.12 53.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.506 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 164.94 32.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 1.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -126.26 117.27 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.672 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.2 m-20 -93.54 146.07 24.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.576 ' HD2' ' HB2' ' B' ' 79' ' ' ALA . 39.6 t-80 -136.24 121.62 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.545 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.468 ' CZ ' ' CD2' ' B' ' 14' ' ' TYR . 16.8 m-30 -113.99 145.61 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 137.41 48.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.77 ' CE1' HG23 ' B' ' 109' ' ' VAL . 16.2 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.77 HG23 ' CE1' ' B' ' 103' ' ' PHE . 46.6 t -68.57 115.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 1.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.558 ' O ' HG12 ' B' ' 110' ' ' VAL . 58.0 t -135.18 10.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.09 121.14 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 110.049 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.783 ' HE1' ' CG ' ' B' ' 30' ' ' PHE . 1.7 mtt -145.65 153.54 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -155.0 143.05 20.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.213 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -111.31 169.17 8.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.654 HD11 ' HE1' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -143.97 104.53 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.914 ' O ' HG21 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -121.79 177.56 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 111.06 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.97 -173.66 45.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.37 -27.14 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 1.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -66.3 -13.26 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.0 109.256 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.692 ' ND2' ' HB3' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -110.82 31.82 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 1.0 109.244 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.876 HG12 HG22 ' B' ' 95' ' ' VAL . 5.1 mt -122.4 149.63 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.448 ' HB2' HG12 ' B' ' 94' ' ' VAL . 2.1 m80 -143.26 102.19 3.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.4 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -63.87 164.66 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.52 -178.54 47.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 1.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 1.0 109.283 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.3 p -116.38 155.45 48.46 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 1.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.6 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.18 -43.32 78.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 1.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.447 ' O ' HG23 ' A' ' 10' ' ' VAL . 5.0 m80 -71.6 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.937 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 30.8 mtm -58.29 -57.87 10.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.697 HG23 ' HB ' ' A' ' 71' ' ' VAL . 7.2 m -57.54 -48.22 79.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.75 72.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 6' ' ' HIS . 2.9 t -62.39 -43.23 97.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.618 1.198 . . . . 1.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.743 HG22 ' HZ ' ' A' ' 101' ' ' PHE . 56.0 t -58.57 -42.82 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -58.16 9.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -35.88 63.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 1.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' HH ' ' HE2' ' A' ' 55' ' ' TYR . 50.5 t80 -67.38 -48.15 68.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.694 HG21 ' CD2' ' A' ' 67' ' ' LEU . 3.0 t -54.34 -46.53 69.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.34 -62.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -44.36 -39.96 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HA ' HD11 ' A' ' 26' ' ' ILE . 30.9 tp -58.47 -55.45 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -15.13 58.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.93 -13.26 36.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.457 ' HA2' HD21 ' A' ' 59' ' ' LEU . . . 66.93 25.51 73.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.574 1.171 . . . . 1.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.596 ' O ' HD12 ' A' ' 26' ' ' ILE . 12.7 t0 -83.22 90.19 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 1.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 52' ' ' ARG . 3.6 mt -70.22 -51.69 28.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 1.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -54.67 31.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -60.49 -59.98 9.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 22' ' ' ASP . 44.6 mt -42.0 -37.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.582 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.1 t -68.26 -49.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 1.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -62.82 -14.01 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.314 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -64.18 -45.49 88.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.907 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.7 p90 -115.53 -176.57 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -46.5 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -16.63 18.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 1.0 109.252 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.78 12.06 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.82 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -52.75 160.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 1.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.719 HG22 ' CB ' ' A' ' 46' ' ' SER . 31.6 p -123.0 107.73 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 1.0 110.407 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 51' ' ' ILE . 41.1 t -90.07 137.75 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -124.17 62.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.507 ' CB ' ' HB3' ' A' ' 114' ' ' ALA . 1.7 p-10 -138.92 130.42 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.1 -144.06 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.975 -2.511 . . . . 1.0 110.95 0.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.014 HG21 HG11 ' B' ' 74' ' ' VAL . 2.1 t -94.78 -178.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.359 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.69 ' H ' HG12 ' A' ' 40' ' ' VAL . . . 112.59 9.44 19.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 1.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 p 69.58 174.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 68.98 71.22 0.38 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.01 -170.4 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 1.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.571 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.5 mmt-85 -128.51 108.54 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.719 ' CB ' HG22 ' A' ' 35' ' ' THR . 82.3 p -104.62 122.38 45.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 1.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.41 172.12 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.527 HG22 HG11 ' A' ' 27' ' ' VAL . 1.3 m -74.53 -51.96 13.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 1.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.6 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -65.86 -63.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.907 HG21 ' CE1' ' A' ' 30' ' ' PHE . 97.5 mt -47.77 -47.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -62.42 -36.0 81.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.63 -52.0 67.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 1.2 m-30 -62.9 -63.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 1.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 59' ' ' LEU . 14.5 m-85 -49.52 -27.85 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -74.79 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -43.88 -39.79 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -52.61 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -54.46 -19.66 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 1.0 109.36 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.71 -29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.9 tp -105.42 139.59 20.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.592 1.838 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 ' HE1' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -77.2 174.79 10.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.67 113.04 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.85 HG22 HG12 ' A' ' 84' ' ' VAL . 37.4 t -86.49 148.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 6.1 pt-20 -162.28 122.76 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 1.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.694 ' CD2' HG21 ' A' ' 15' ' ' VAL . 1.8 mm? -59.1 142.64 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.511 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 7.6 t -142.77 14.55 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.645 HE21 HH22 ' B' ' 72' ' ' ARG . 8.5 mp0 -141.08 -96.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 178.83 179.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.921 HG22 ' CB ' ' A' ' 80' ' ' PHE . 45.2 t -122.1 128.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.495 ' NH1' ' ND2' ' B' ' 120' ' ' ASN . 8.1 mtp85 -115.36 107.31 15.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 1.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.937 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -94.59 136.79 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.76 HG11 HG21 ' B' ' 40' ' ' VAL . 1.4 t -133.28 -147.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -48.52 95.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 1.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.7 m120 39.19 30.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.228 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -124.92 160.77 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 1.0 110.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -151.22 110.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.6 ' HB3' HD22 ' B' ' 115' ' ' LEU . . . -125.88 114.3 18.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.921 ' CB ' HG22 ' A' ' 71' ' ' VAL . 30.7 p90 -126.06 163.4 23.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.421 1.076 . . . . 1.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -118.63 131.7 56.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.608 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 18.9 p90 -140.06 173.64 11.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 1.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.511 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.85 167.74 9.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.453 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.85 HG12 HG22 ' A' ' 65' ' ' VAL . 7.1 m -153.02 132.93 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -109.86 118.61 36.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 110.022 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 12.5 m-30 -107.01 97.87 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 tttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 85' ' ' SER . 1.8 m -103.94 162.01 13.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 1.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.741 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.6 t -138.02 89.02 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.897 HG22 HG12 ' A' ' 121' ' ' ILE . 55.7 t -86.67 159.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -128.63 77.63 77.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.94 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 1.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.492 ' CG1' ' HG3' ' B' ' 72' ' ' ARG . 1.5 mt -130.4 119.47 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.684 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -88.93 143.47 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.437 ' NE2' HD11 ' B' ' 115' ' ' LEU . 0.4 OUTLIER -154.18 100.78 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.57 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.743 ' HZ ' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -127.24 177.48 6.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.739 ' O ' HG13 ' A' ' 109' ' ' VAL . 11.5 mtp180 -122.97 178.86 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.707 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -133.16 127.61 34.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 109.231 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.726 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 102' ' ' ARG . 9.1 t -55.58 116.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.82 HG13 ' HA ' ' A' ' 34' ' ' ALA . 97.2 t -117.44 -69.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 1.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.0 m -72.57 122.93 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 1.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.49 ' CE ' HG12 ' A' ' 109' ' ' VAL . 5.2 mtt -138.32 138.18 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -140.35 135.47 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.524 ' O ' HG22 ' A' ' 40' ' ' VAL . . . -117.15 156.15 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.867 HD21 ' OE1' ' B' ' 77' ' ' GLU . 0.7 OUTLIER -136.1 151.74 50.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -166.62 146.04 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -154.15 170.07 32.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 1.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.41 -3.7 35.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 1.0 110.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.9 tptm -74.04 -4.05 33.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.085 . . . . 1.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -152.73 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 1.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.897 HG12 HG22 ' A' ' 95' ' ' VAL . 5.7 mt -130.58 141.66 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -129.26 81.41 2.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 1.0 109.55 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.68 122.35 27.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.35 179.48 25.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 1.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.413 0.713 . . . . 1.0 109.297 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.461 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.486 0.184 . . . . 1.0 110.924 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' B' ' 1' ' ' MET . 0.9 OUTLIER -161.66 87.98 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.714 ' O ' ' HE2' ' B' ' 7' ' ' MET . 0.6 OUTLIER -156.29 155.87 29.5 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.391 1.057 . . . . 1.0 110.425 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -42.13 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 1.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.684 ' CB ' HG23 ' B' ' 3' ' ' THR . 7.0 t-160 -70.43 -64.88 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 1.0 109.65 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.95 ' SD ' ' HB1' ' B' ' 73' ' ' ALA . 23.3 ptp -50.55 -43.02 56.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.516 ' N ' ' HG3' ' B' ' 7' ' ' MET . 97.6 m -63.09 -41.6 99.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.45 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.94 -44.42 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.352 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.697 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 2.6 t -54.38 -50.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -58.61 -43.33 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -45.05 93.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.756 ' CE1' HD21 ' B' ' 18' ' ' LEU . 85.9 t80 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.849 HG13 HG12 ' B' ' 65' ' ' VAL . 6.1 t -47.65 -47.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.82 -52.56 40.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.451 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -62.1 -33.84 75.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.756 HD21 ' CE1' ' B' ' 14' ' ' TYR . 4.6 mm? -62.92 -45.19 93.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ASN . . . . . 0.674 ' OD1' ' HB1' ' B' ' 64' ' ' ALA . 2.6 t30 -65.9 -34.37 77.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.74 -7.3 57.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.725 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 67.43 16.77 67.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.568 1.167 . . . . 1.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.687 ' O ' HD12 ' B' ' 26' ' ' ILE . 7.7 t0 -58.96 97.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 0.728 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.8 OUTLIER -74.64 -74.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -47.99 -42.26 27.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.56 -60.92 7.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 1.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.687 HD12 ' O ' ' B' ' 22' ' ' ASP . 54.7 mt -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.953 HG13 HG23 ' B' ' 48' ' ' THR . 3.0 t -77.78 -33.52 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -85.07 -6.27 59.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 9.0 tt -63.44 -45.53 90.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.828 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.5 p90 -106.21 -177.25 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.583 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.48 169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.419 ' HA ' ' OG1' ' B' ' 48' ' ' THR . 3.4 p30 -93.56 -4.59 50.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 1.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -136.41 28.03 3.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.361 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.82 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -71.97 163.4 27.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 82.0 p -113.32 121.1 43.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.788 HG21 HG23 ' B' ' 51' ' ' ILE . 86.7 t -96.08 145.39 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.412 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 9.6 tp10 -136.65 57.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 1.0 110.213 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.796 ' HB2' ' HB3' ' B' ' 114' ' ' ALA . 1.0 OUTLIER -138.05 148.53 60.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.522 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.03 -65.17 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.961 -2.516 . . . . 1.0 111.008 0.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.76 HG21 HG11 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -155.14 -176.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.65 11.33 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 1.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t 65.42 -179.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 1.0 109.948 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 66.57 75.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.6 39.6 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.509 1.794 . . . . 1.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.996 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 0.7 OUTLIER -92.84 117.31 29.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 110.349 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -103.55 122.82 45.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 112.22 124.95 4.44 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.142 . . . . 1.0 111.088 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.953 HG23 HG13 ' B' ' 27' ' ' VAL . 2.9 m -44.38 -25.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 1.0 110.393 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -63.99 -56.55 14.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 1.0 109.356 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.996 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -65.64 -26.15 67.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 1.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.828 HG21 ' CE1' ' B' ' 30' ' ' PHE . 79.0 mt -67.37 -69.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.67 ' CB ' HG21 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -50.63 -34.61 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 1.0 110.286 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -58.97 -58.34 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 1.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -56.8 10.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.466 ' HB3' ' CD2' ' B' ' 23' ' ' LEU . 2.1 m-85 -50.55 -28.53 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -74.87 -53.96 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -60.32 -23.45 64.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 1.143 . . . . 1.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -66.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 1.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.725 HD22 ' HA2' ' B' ' 21' ' ' GLY . 0.9 OUTLIER -53.88 -19.8 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -40.06 -29.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' B' ' 86' ' ' PHE . 10.9 tp -83.12 139.3 42.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 1.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.1 Cg_endo -74.98 77.94 3.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 1.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.83 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.674 ' HB1' ' OD1' ' B' ' 19' ' ' ASN . . . -150.68 118.7 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.849 HG12 HG13 ' B' ' 15' ' ' VAL . 79.3 t -87.1 143.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -144.96 148.6 34.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.416 ' O ' ' HB ' ' B' ' 68' ' ' THR . 0.3 OUTLIER -86.71 142.71 27.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.458 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.2 t 179.14 67.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.4 OUTLIER -179.12 -147.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 50.6 mp0 -112.69 164.55 13.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.909 HG22 ' CB ' ' B' ' 80' ' ' PHE . 59.1 t -130.88 96.85 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.645 HH22 HE21 ' A' ' 69' ' ' GLN . 10.0 mmt180 -71.03 89.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 110.317 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.95 ' HB1' ' SD ' ' B' ' 7' ' ' MET . . . -90.8 156.47 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 1.014 HG11 HG21 ' A' ' 40' ' ' VAL . 2.4 p -171.55 -148.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.78 ' N ' HG13 ' B' ' 74' ' ' VAL . . . -45.36 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 1.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.2 OUTLIER 36.02 32.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.867 ' OE1' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -126.09 152.38 45.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 110.266 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 100' ' ' HIS . . . -147.82 119.11 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' HB2' ' B' ' 100' ' ' HIS . . . -124.93 91.43 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.909 ' CB ' HG22 ' B' ' 71' ' ' VAL . 30.4 p90 -109.2 161.38 15.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 1.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' B' ' 69' ' ' GLN . . . -115.41 124.25 50.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 1.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 9.7 p90 -123.67 -175.69 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.458 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -125.07 153.26 43.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.596 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.9 OUTLIER -127.6 121.1 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.581 ' HA ' HG23 ' B' ' 94' ' ' VAL . 3.7 m -95.19 119.32 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.71 ' CE1' HG23 ' B' ' 95' ' ' VAL . 2.5 p90 -150.98 133.87 15.85 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 1.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 1.0 110.282 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.313 -0.255 . . . . 1.0 110.313 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.496 ' HD2' ' HB3' ' B' ' 125' ' ' ALA . 0.0 OUTLIER -90.06 147.85 23.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.628 HG22 HG23 ' B' ' 121' ' ' ILE . 27.8 m -157.07 143.17 17.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 110.37 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.581 HG23 ' HA ' ' B' ' 85' ' ' SER . 0.5 OUTLIER -126.92 116.68 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.89 HG22 HG12 ' B' ' 121' ' ' ILE . 99.5 t -94.49 168.04 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -137.06 74.39 49.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.581 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.14 159.12 41.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 1.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' A' ' 72' ' ' ARG . 26.3 mt -109.81 116.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' B' ' 80' ' ' PHE . 1.5 m-20 -93.4 124.17 37.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.515 ' O ' ' CD2' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -139.08 120.25 14.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.656 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.516 ' CB ' ' HA ' ' B' ' 112' ' ' MET . 5.6 p90 -156.19 169.72 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 111.072 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.585 ' O ' HG13 ' B' ' 109' ' ' VAL . 4.6 ptm180 -133.32 159.41 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.698 ' CB ' HG22 ' B' ' 109' ' ' VAL . 1.7 p90 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 1.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.458 ' C ' ' HB2' ' B' ' 103' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.698 HG22 ' CB ' ' B' ' 103' ' ' PHE . 2.1 t -91.37 128.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.499 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 38.6 t -128.26 3.26 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.44 121.37 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.516 ' HA ' ' CB ' ' B' ' 101' ' ' PHE . 1.1 ptm -151.85 147.8 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.512 ' HB2' ' CE1' ' B' ' 100' ' ' HIS . 1.9 mtm180 -140.48 170.03 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.796 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -145.1 164.38 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 1.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -134.03 106.64 7.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' B' ' 95' ' ' VAL . 8.7 t80 -112.94 75.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.07 -176.98 32.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -109.96 0.31 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 1.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.33 23.03 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.634 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 2.0 p30 -146.95 52.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.212 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.89 HG12 HG22 ' B' ' 95' ' ' VAL . 7.8 mt -133.61 143.77 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.449 ' HB2' HG12 ' B' ' 94' ' ' VAL . 5.3 m80 -133.95 101.44 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 1.0 109.555 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.403 ' HA ' ' HG1' ' B' ' 93' ' ' THR . . . -78.36 172.72 13.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.08 173.83 39.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 1.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.496 ' HB3' ' HD2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.517 ' O ' ' SD ' ' A' ' 7' ' ' MET . 31.0 p -92.79 155.65 41.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 1.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.612 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 13.0 pt-20 -68.42 -28.49 67.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.421 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 23.8 t-80 -75.99 -65.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.585 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.832 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -52.38 -44.38 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.803 HG23 HG11 ' A' ' 71' ' ' VAL . 88.7 m -65.6 -44.23 87.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -58.57 -32.94 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.778 HG13 HD22 ' A' ' 29' ' ' LEU . 3.7 t -69.28 -48.7 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.642 HG11 ' CD2' ' A' ' 80' ' ' PHE . 2.6 t -52.92 -41.83 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -50.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -33.69 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.348 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.513 ' HB2' HD13 ' A' ' 29' ' ' LEU . 3.0 t80 -67.35 -47.12 71.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.931 HG21 ' CD2' ' A' ' 67' ' ' LEU . 3.3 t -57.95 -47.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -53.8 52.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 1.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.51 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.74 HD23 ' CG2' ' A' ' 65' ' ' VAL . 13.1 tp -57.29 -54.13 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.605 ' OD1' ' HB1' ' A' ' 64' ' ' ALA . 41.1 t30 -57.75 -24.66 58.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.76 30.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 1.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.15 40.54 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 1.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.737 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.6 t0 -92.82 94.9 9.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 1.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -74.78 -75.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 1.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.435 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 5.8 t0 -50.95 -39.68 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -59.84 -60.34 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 1.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 22' ' ' ASP . 42.5 mt -52.31 -28.65 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 1.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 13.7 t -78.23 -30.05 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 1.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -84.95 -11.7 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.778 HD22 HG13 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -60.47 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 23.7 p90 -84.6 -175.44 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -49.39 177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 48' ' ' THR . 5.6 t70 -105.48 -12.15 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.17 27.14 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.646 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -75.49 178.23 6.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.556 HG22 ' HB2' ' A' ' 46' ' ' SER . 26.7 p -126.81 125.07 41.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.769 HG21 HG23 ' A' ' 51' ' ' ILE . 87.6 t -97.55 137.74 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 34.0 mt-10 -135.35 64.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.473 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -109.04 134.71 20.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.776 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.96 -49.33 0.23 Allowed 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.046 -2.481 . . . . 1.0 110.943 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.005 HG21 HG11 ' B' ' 74' ' ' VAL . 2.4 t -115.84 -174.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.764 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -52.23 -19.47 5.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 1.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -53.32 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER 82.56 76.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 166.16 29.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.446 1.761 . . . . 1.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.41 146.1 36.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 1.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.556 ' HB2' HG22 ' A' ' 35' ' ' THR . 9.6 p -139.94 136.29 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 1.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 147.98 23.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -62.47 -12.71 23.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 0.753 . . . . 1.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.11 -66.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.769 HG23 HG21 ' A' ' 36' ' ' VAL . 68.0 mt -67.72 -68.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 40.0 ttm180 -50.32 -34.05 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 6.6 tt0 -62.61 -64.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 1.0 110.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.649 ' CE1' ' NH1' ' A' ' 45' ' ' ARG . 10.1 t80 -54.09 -51.77 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.06 -32.29 66.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 1.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -68.32 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -52.85 -21.11 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 1.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t -73.71 -59.7 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 1.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.703 HD11 HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.98 -21.48 58.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.356 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.36 -23.49 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.837 HD23 HD23 ' A' ' 63' ' ' LEU . 12.8 tp -79.27 134.3 59.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.757 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 70.13 5.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.837 HD23 HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -125.34 -176.41 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB1' ' OD1' ' A' ' 19' ' ' ASN . . . -145.77 164.9 30.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.74 ' CG2' HD23 ' A' ' 18' ' ' LEU . 91.3 t -138.63 137.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 1.2 tt0 -151.84 139.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 1.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.931 ' CD2' HG21 ' A' ' 15' ' ' VAL . 2.0 mm? -81.57 116.22 21.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -113.78 -26.63 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -87.16 -93.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.14 175.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.803 HG11 HG23 ' A' ' 8' ' ' THR . 62.0 t -115.23 123.46 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.791 ' HG3' HD12 ' B' ' 98' ' ' ILE . 3.7 mmm180 -98.21 82.38 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.832 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -88.63 126.82 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.798 HG13 ' N ' ' A' ' 75' ' ' ALA . 2.3 p -144.94 -148.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.798 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -41.56 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 1.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.7 m120 36.81 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' CD ' HD21 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -122.82 158.75 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -152.4 86.36 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 1.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.084 ' HB1' ' CE1' ' A' ' 100' ' ' HIS . . . -100.6 96.51 7.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.711 ' HB3' HG13 ' A' ' 71' ' ' VAL . 45.2 p90 -114.14 149.21 35.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 1.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.532 ' O ' HD13 ' A' ' 67' ' ' LEU . . . -108.85 125.54 52.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 1.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.737 ' CD2' HG13 ' A' ' 65' ' ' VAL . 44.1 p90 -128.89 168.67 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -111.51 144.93 39.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -118.99 129.7 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 48.8 m -108.86 120.32 42.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.898 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.7 p90 -141.51 147.0 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 110.284 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.604 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 87.1 m -146.47 143.83 29.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -130.08 122.95 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.898 HG23 ' CE1' ' A' ' 86' ' ' PHE . 21.7 t -103.12 170.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.968 ' HB3' ' ND2' ' A' ' 120' ' ' ASN . . . -143.46 68.59 17.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.567 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 18.3 Cg_endo -75.0 161.34 38.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 1.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.707 HD12 ' HG3' ' B' ' 72' ' ' ARG . 10.6 mt -114.05 116.0 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 1.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -89.78 135.99 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 1.084 ' CE1' ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -122.71 93.94 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.0 109.603 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 11' ' ' VAL . 6.0 m-30 -90.08 147.48 23.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -131.16 116.38 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -82.94 123.75 29.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 1.0 111.052 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 1.0 109.304 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 102' ' ' ARG . 18.0 t -51.57 116.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 108' ' ' LYS . 76.0 t -110.33 -4.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 1.0 109.384 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -160.4 132.95 6.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 1.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.569 ' HB2' ' CD1' ' A' ' 101' ' ' PHE . 5.0 ptp -151.57 133.13 14.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.475 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -133.99 142.53 47.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -101.96 168.15 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' B' ' 77' ' ' GLU . 0.3 OUTLIER -142.67 106.49 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.361 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 97' ' ' PRO . 6.5 m-85 -100.76 -175.4 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.66 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -169.14 172.6 43.43 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.527 1.142 . . . . 1.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.4 -7.6 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 1.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.38 17.62 20.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.968 ' ND2' ' HB3' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -122.07 24.78 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.66 HD11 ' O ' ' A' ' 117' ' ' GLY . 2.0 mt -126.51 149.48 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.428 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -141.6 102.63 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.638 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.79 170.14 16.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.7 179.37 39.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.441 1.088 . . . . 1.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.74 . . . . 1.0 109.354 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.197 . . . . 1.0 110.985 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 170.11 103.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.846 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -151.1 153.26 32.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 110.404 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.584 ' HA ' ' CG ' ' B' ' 7' ' ' MET . 18.2 Cg_endo -75.06 -36.24 2.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.3 pt-20 -61.64 -30.12 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 1.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.846 ' HB2' HG23 ' B' ' 3' ' ' THR . 1.9 m80 -80.51 -67.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.74 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 1.5 ptm -48.08 -40.05 22.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 1.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.665 HG23 HG11 ' B' ' 71' ' ' VAL . 55.8 m -71.68 -49.73 36.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 1.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -53.76 -36.06 61.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 1.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.917 HG13 HD22 ' B' ' 29' ' ' LEU . 5.2 t -69.84 -47.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.589 HG13 ' CE1' ' B' ' 80' ' ' PHE . 2.5 t -50.55 -39.76 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -67.82 -56.27 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -54.28 -29.12 46.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 1.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.503 ' HH ' ' HE2' ' B' ' 55' ' ' TYR . 7.6 t80 -71.81 -52.04 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 1.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 t -52.5 -46.48 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.21 70.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.506 ' O ' HD11 ' B' ' 26' ' ' ILE . . . -55.75 -24.7 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.692 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.0 tp -78.11 -48.2 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.196 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -56.83 -31.51 64.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 1.0 109.418 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.49 -24.94 36.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 1.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 70.48 52.48 16.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 111.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' B' ' 17' ' ' ALA . 3.8 p30 -110.8 89.24 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.705 HD21 HD12 ' B' ' 59' ' ' LEU . 7.1 mt -59.93 -41.44 91.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.14 -55.04 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -65.31 -63.44 4.12 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.708 HG22 ' HE2' ' B' ' 30' ' ' PHE . 71.1 mt -40.89 -38.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 1.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 23' ' ' LEU . 24.3 t -68.66 -48.84 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 1.0 109.23 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -64.5 -12.0 39.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.917 HD22 HG13 ' B' ' 10' ' ' VAL . 0.4 OUTLIER -70.02 -65.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.708 ' HE2' HG22 ' B' ' 26' ' ' ILE . 28.5 p90 -90.73 -176.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -50.84 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' B' ' 48' ' ' THR . 0.2 OUTLIER -110.76 5.74 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -145.79 19.85 1.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 1.0 109.383 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.605 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -64.84 -177.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.691 HG22 ' CB ' ' B' ' 46' ' ' SER . 61.7 p -133.66 121.74 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.764 HG23 HG12 ' B' ' 51' ' ' ILE . 29.4 t -98.94 137.83 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' B' ' 113' ' ' ARG . 7.2 tp10 -140.74 92.72 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.6 OUTLIER -147.47 145.58 22.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 1.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.583 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.2 Cg_endo -75.01 -63.53 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.027 -2.489 . . . . 1.0 111.004 0.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.583 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -160.99 166.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 109.288 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 119.02 5.69 11.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 1.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 84.97 -178.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 1.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 76.8 69.86 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -177.74 3.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 1.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.529 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 4.6 mmm-85 -139.71 98.21 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.691 ' CB ' HG22 ' B' ' 35' ' ' THR . 24.6 p -92.31 140.59 29.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.21 147.12 20.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 1.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.487 ' CG2' HG13 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -61.8 -21.46 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 1.0 110.421 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.25 -60.48 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 1.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -63.16 -34.23 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.764 HG12 HG23 ' B' ' 36' ' ' VAL . 52.6 mt -66.32 -68.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 17.3 ttp180 -52.1 -33.69 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 1.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 19.6 mt-10 -63.62 -44.34 94.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 1.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -54.82 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.592 ' HE1' HG11 ' B' ' 36' ' ' VAL . 20.7 m-85 -59.96 -28.05 67.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 1.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -78.26 -73.66 0.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 1.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -41.55 -29.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.41 ' N ' ' C ' ' B' ' 56' ' ' ALA . 98.5 p -82.96 -45.74 13.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 1.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.705 HD12 HD21 ' B' ' 23' ' ' LEU . 7.3 mt -55.55 -20.95 14.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 1.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' B' ' 63' ' ' LEU . 10.0 tp -96.69 140.5 22.18 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.98 55.39 3.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.407 1.74 . . . . 1.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.62 ' CD2' HD23 ' B' ' 61' ' ' LEU . 26.2 mt -53.8 166.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.928 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -141.32 64.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' B' ' 84' ' ' VAL . 33.0 t -76.55 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 1.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.74 146.06 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 1.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' B' ' 68' ' ' THR . 3.1 mt -74.6 156.0 37.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.549 ' O ' ' NE2' ' B' ' 69' ' ' GLN . 0.1 OUTLIER 174.65 57.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' B' ' 68' ' ' THR . 1.6 mp0 -167.95 -92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.425 ' HG3' ' NH1' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -167.93 161.72 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.91 HG22 ' CB ' ' B' ' 80' ' ' PHE . 96.1 t -127.16 117.12 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.707 ' HG3' HD12 ' A' ' 98' ' ' ILE . 16.1 mmp_? -89.37 82.15 6.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.74 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -90.83 114.06 26.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 1.005 HG11 HG21 ' A' ' 40' ' ' VAL . 1.4 t -136.41 -146.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.476 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -44.37 90.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 74' ' ' VAL . 26.0 m-20 35.35 35.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 1.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.64 ' HB3' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -132.95 105.32 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 1.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.22 95.26 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.562 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -107.21 97.34 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.91 ' CB ' HG22 ' B' ' 71' ' ' VAL . 48.4 p90 -117.16 161.9 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.487 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -114.21 126.54 55.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.469 ' HD2' HG13 ' B' ' 65' ' ' VAL . 36.7 p90 -130.25 -177.92 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 1.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.487 ' O ' HG13 ' B' ' 65' ' ' VAL . 0.0 OUTLIER -118.83 158.88 24.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.67 HG22 ' O ' ' B' ' 84' ' ' VAL . 0.3 OUTLIER -136.78 100.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.928 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -79.96 126.45 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 1.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.644 ' CE1' HG23 ' B' ' 95' ' ' VAL . 5.5 p90 -155.65 137.07 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.468 ' CG ' ' HG2' ' B' ' 92' ' ' LYS . 25.3 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.33 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.315 -0.254 . . . . 1.0 110.315 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.602 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 3.8 mttp -100.88 158.37 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 28.2 m -156.74 154.41 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 110.395 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' B' ' 122' ' ' HIS . 8.1 p -142.9 117.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 1.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.661 ' HB ' HG13 ' B' ' 84' ' ' VAL . 21.7 t -94.89 165.58 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.46 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -138.92 67.95 42.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.586 ' HB3' ' CD1' ' B' ' 116' ' ' PHE . 18.1 Cg_endo -75.04 162.41 37.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 1.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.791 HD12 ' HG3' ' A' ' 72' ' ' ARG . 33.4 mt -112.64 116.4 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 1.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.583 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 1.0 OUTLIER -87.24 142.59 27.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 11.3 t-80 -140.65 95.1 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 109.605 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 15.7 m-30 -96.02 140.98 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 1.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 114.61 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 16.4 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 17.4 t -93.0 119.13 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.533 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 77.0 t -115.93 -8.26 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' SER . . . . . 0.45 ' OG ' ' NH2' ' B' ' 113' ' ' ARG . 4.8 t -147.92 133.23 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 1.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 133.76 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.471 ' HG2' ' CG ' ' B' ' 37' ' ' GLU . 3.7 mtt85 -133.51 148.3 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 39' ' ' PRO . . . -117.97 161.98 18.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.494 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.5 mp -137.82 120.36 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' B' ' 97' ' ' PRO . 3.9 m-85 -110.98 -175.74 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.98 39.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 1.0 111.033 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.87 -69.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 1.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -60.28 -14.72 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 1.0 109.237 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.559 ' ND2' ' CZ ' ' A' ' 72' ' ' ARG . 2.0 t-20 -54.91 -19.09 5.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.6 mt -96.2 134.91 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.465 ' CD2' HG13 ' B' ' 94' ' ' VAL . 0.2 OUTLIER -125.34 92.64 3.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 1.0 109.61 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.495 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -61.96 169.83 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . 171.8 173.11 38.39 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 1.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.602 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 1.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.259 -0.645 . . . . 1.0 109.259 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p -98.44 155.47 36.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 1.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -32.49 5.31 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.526 1.803 . . . . 1.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.2 -46.91 86.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 1.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -71.58 -45.37 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.543 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.827 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 11.5 mtm -53.62 -50.68 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -64.1 -48.41 76.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.34 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 1.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG13 HD21 ' A' ' 29' ' ' LEU . 4.4 t -68.78 -40.71 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.2 t -57.42 -42.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -52.43 50.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 1.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB3' HD11 ' A' ' 29' ' ' LEU . 6.8 ttm180 -56.79 -35.29 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 110.232 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.519 ' HA ' HD13 ' A' ' 29' ' ' LEU . 11.2 t80 -65.67 -54.1 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 1.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.814 HG11 ' HA ' ' A' ' 66' ' ' GLU . 80.9 t -58.46 -61.2 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.47 -45.12 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 1.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' HG12 ' A' ' 26' ' ' ILE . . . -60.19 -37.75 81.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.203 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.53 ' HA ' HD11 ' A' ' 26' ' ' ILE . 23.5 tp -62.97 -57.65 10.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.59 -23.88 59.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 1.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.09 46.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 86.32 46.05 5.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 1.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -98.65 91.83 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 0.796 . . . . 1.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.94 HD11 ' HB2' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -67.03 -69.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -35.07 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.372 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.15 -62.07 6.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 1.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.575 HG21 ' HE2' ' A' ' 55' ' ' TYR . 51.2 mt -53.22 -45.8 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 23' ' ' LEU . 59.5 t -60.41 -30.62 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.15 -21.07 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.26 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 10' ' ' VAL . 4.2 tt -56.71 -49.27 75.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 7.6 p90 -108.69 -175.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.627 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -44.84 167.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 1.01 ' O ' HG23 ' A' ' 48' ' ' THR . 1.7 m-20 -98.19 -10.82 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 1.0 109.395 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.11 15.27 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -56.85 160.7 3.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 1.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.556 HG22 ' CB ' ' A' ' 46' ' ' SER . 69.7 p -112.95 142.49 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' PRO . 3.1 t -116.41 153.53 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 1.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 3.3 tm-20 -159.49 60.17 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -129.65 134.87 26.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.378 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.609 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -75.08 -69.12 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.065 -2.473 . . . . 1.0 111.017 0.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.868 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -156.78 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.283 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 123.87 0.09 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.401 1.063 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 85.54 -172.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 109.989 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' SER . 10.7 pt-20 42.4 81.49 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 1.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.04 154.1 42.08 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.451 1.764 . . . . 1.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -104.37 105.67 15.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.556 ' CB ' HG22 ' A' ' 35' ' ' THR . 11.6 p -110.11 166.65 10.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 91.99 125.1 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.01 HG23 ' O ' ' A' ' 32' ' ' ASP . 9.9 p -41.29 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 1.0 110.411 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -66.09 -61.97 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -59.94 -50.16 74.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.511 HG23 ' CE1' ' A' ' 55' ' ' TYR . 3.6 mt -56.44 -31.02 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.735 ' HG3' HD12 ' A' ' 23' ' ' LEU . 10.2 ttt180 -74.76 -73.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 1.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -45.84 -30.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 15.8 t80 -72.81 -67.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' HE2' HG21 ' A' ' 26' ' ' ILE . 5.8 m-85 -47.72 -42.21 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 1.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -64.59 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -45.34 -26.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' ALA . 3.8 t -79.64 -43.04 23.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -62.18 -24.25 67.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -22.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HD2' ' A' ' 62' ' ' PRO . 9.6 tp -98.16 140.27 21.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.535 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.07 55.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.427 1.751 . . . . 1.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.044 HD11 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -93.41 144.95 24.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.518 1.136 . . . . 1.0 109.349 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.874 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -121.64 105.0 10.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.044 HG23 HD11 ' A' ' 63' ' ' LEU . 5.9 t -103.88 140.78 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.814 ' HA ' HG11 ' A' ' 15' ' ' VAL . 8.6 tt0 -172.95 147.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.408 1.068 . . . . 1.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 67' ' ' LEU . 2.3 pp -77.06 157.77 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.17 53.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 1.0 110.451 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -166.02 -98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.67 161.01 38.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 1.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.927 HG22 ' CB ' ' A' ' 80' ' ' PHE . 62.4 t -129.42 118.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -86.46 74.32 9.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.827 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -90.54 77.66 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 1.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.921 HG13 HG21 ' B' ' 40' ' ' VAL . 10.0 p -141.29 155.53 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.609 ' HB3' HG11 ' B' ' 40' ' ' VAL . . . 54.26 49.92 17.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 46.38 33.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 1.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' OE1' ' NE2' ' A' ' 100' ' ' HIS . 1.2 mt-10 -136.05 125.7 25.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 1.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.76 88.3 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 1.0 109.234 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . . . -101.95 84.51 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.927 ' CB ' HG22 ' A' ' 71' ' ' VAL . 38.8 p90 -107.07 165.07 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -111.65 130.95 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.781 ' CD2' HG13 ' A' ' 65' ' ' VAL . 44.8 p90 -136.23 160.78 37.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -101.52 165.15 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.691 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -149.21 113.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.85 122.28 40.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.618 ' CZ ' ' HB ' ' A' ' 93' ' ' THR . 2.9 p90 -140.38 134.04 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 110.318 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.618 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 17.2 m -135.04 154.69 51.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -132.65 113.16 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.75 HG22 ' CG1' ' A' ' 121' ' ' ILE . 79.1 t -98.08 148.79 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' B' ' 72' ' ' ARG . . . -126.4 68.89 67.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.684 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.2 Cg_endo -75.08 170.36 20.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 1.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.582 HD11 ' CZ ' ' B' ' 72' ' ' ARG . 67.4 mt -114.85 117.42 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.569 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.2 m-20 -89.12 125.82 35.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 77' ' ' GLU . 1.1 t-80 -121.52 104.62 9.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 1.0 109.651 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 101' ' ' PHE . 8.1 m-30 -99.69 162.52 12.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 1.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.435 HH21 ' CE1' ' A' ' 100' ' ' HIS . 5.3 ttm180 -127.58 127.2 43.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 1.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.77 ' CZ ' HG23 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -111.07 113.67 26.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.77 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 21.2 t -65.53 129.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 110' ' ' VAL . 52.4 t -134.8 10.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.0 146.29 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.525 ' HE2' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -159.19 103.65 1.65 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.067 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 9.2 mtt180 -117.31 173.63 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -142.77 159.79 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 1.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.408 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.8 OUTLIER -140.62 103.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.8 OUTLIER -114.82 125.17 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.684 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -91.14 -172.36 43.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -108.24 5.65 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 1.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 11.14 10.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 1.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.488 ' C ' HD12 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -120.04 35.68 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 1.0 109.329 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.75 ' CG1' HG22 ' A' ' 95' ' ' VAL . 5.1 mp -132.48 148.97 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 1.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.474 ' HB2' HG12 ' A' ' 94' ' ' VAL . 2.9 m80 -130.02 104.69 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.82 158.68 15.74 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 1.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.75 174.98 44.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 1.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 1.0 109.239 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.447 0.165 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 m120 72.36 54.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 38.4 p -95.32 155.58 38.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.37 2.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 1.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 2.8 mt-10 -66.11 -39.24 89.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.895 ' O ' HG23 ' B' ' 10' ' ' VAL . 59.8 t-80 -70.67 -48.12 56.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 1.0 109.607 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' B' ' 77' ' ' GLU . 62.9 mtm -59.9 -60.45 3.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -54.84 -42.48 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -61.71 -36.4 80.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 1.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 6' ' ' HIS . 48.9 t -66.38 -38.35 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.595 HG22 ' CE1' ' B' ' 80' ' ' PHE . 5.5 t -62.85 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.626 1.204 . . . . 1.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -37.79 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.76 -45.0 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.76 HG13 ' CG1' ' B' ' 65' ' ' VAL . 3.0 t -61.82 -46.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.1 -60.7 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 21' ' ' GLY . . . -49.6 -44.86 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.734 HD23 HG21 ' B' ' 65' ' ' VAL . 16.4 tp -54.42 -55.15 31.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -20.42 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.2 -16.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' B' ' 17' ' ' ALA . . . 67.46 31.19 76.13 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.103 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.464 ' C ' HD12 ' B' ' 26' ' ' ILE . 68.2 m-20 -82.53 73.1 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 0.76 . . . . 1.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.892 ' O ' HG23 ' B' ' 27' ' ' VAL . 30.8 mt -51.66 -34.74 39.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.39 -33.02 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 1.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.602 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 26.2 mt -72.83 -48.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 1.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 23' ' ' LEU . 71.4 t -63.1 -16.79 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.88 -26.87 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.59 -39.83 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.843 ' HE1' HD13 ' B' ' 51' ' ' ILE . 4.9 p90 -116.7 -174.67 2.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.663 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -50.27 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -100.9 -20.03 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -126.38 38.89 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -78.62 156.25 29.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.872 HG22 ' HB3' ' B' ' 46' ' ' SER . 24.6 p -104.32 124.84 49.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.804 HG13 ' HB2' ' B' ' 112' ' ' MET . 2.0 t -119.04 140.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HG3' ' CG ' ' B' ' 113' ' ' ARG . 9.0 pt-20 -134.13 102.39 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' B' ' 54' ' ' PHE . 1.0 OUTLIER -119.42 136.31 24.52 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.807 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -75.01 -46.58 0.36 Allowed 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 1.0 110.968 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.921 HG21 HG13 ' A' ' 74' ' ' VAL . 2.0 t -116.02 -170.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 1.0 109.365 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.797 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -50.12 -20.55 3.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.4 p -53.87 88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 1.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 41' ' ' GLY . 3.0 mm-40 81.5 78.76 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 1.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.538 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 3.4 mmt-85 -155.2 176.53 12.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.872 ' HB3' HG22 ' B' ' 35' ' ' THR . 77.4 p -170.31 156.07 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 1.0 110.002 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.36 153.67 30.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.747 HG22 ' CG1' ' B' ' 27' ' ' VAL . 39.8 p -59.8 -17.09 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 1.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -61.41 -33.13 73.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.843 HD13 ' HE1' ' B' ' 30' ' ' PHE . 9.4 mt -59.39 -62.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -62.05 -32.76 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.85 -43.13 98.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 1.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' B' ' 38' ' ' ASP . 0.3 OUTLIER -70.79 -60.08 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 1.0 111.078 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.953 ' O ' HD12 ' B' ' 59' ' ' LEU . 16.3 m-85 -54.46 -28.4 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 1.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -79.47 -50.08 11.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -48.87 -40.18 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 -49.91 15.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.962 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.953 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.4 OUTLIER -53.87 -19.78 4.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -40.02 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 1.0 109.228 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.732 HD23 ' HD1' ' B' ' 86' ' ' PHE . 15.8 tp -111.35 133.76 21.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.44 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.96 65.38 6.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 1.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 1.196 HD23 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.48 175.18 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.82 100.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.76 ' CG1' HG13 ' B' ' 15' ' ' VAL . 2.6 t -72.16 153.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -171.66 133.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.59 170.77 15.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.539 HG22 ' OG1' ' B' ' 83' ' ' THR . 0.1 OUTLIER -171.6 -45.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 110.412 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -71.45 -97.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.619 ' CD ' HH21 ' B' ' 72' ' ' ARG . 0.0 OUTLIER 176.68 -178.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 1.0 110.283 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.926 HG22 ' CB ' ' B' ' 80' ' ' PHE . 66.4 t -122.82 142.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.619 HH21 ' CD ' ' B' ' 70' ' ' GLU . 0.9 OUTLIER -118.91 88.73 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' B' ' 77' ' ' GLU . . . -88.47 137.6 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.868 HG11 HG21 ' A' ' 40' ' ' VAL . 1.6 t -148.07 -144.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.516 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -47.86 94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.3 OUTLIER 38.72 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 1.9 mm-40 -123.16 156.31 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.51 95.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 1.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -112.75 110.15 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 109.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.926 ' CB ' HG22 ' B' ' 71' ' ' VAL . 47.3 p90 -125.79 162.8 24.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.477 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -115.7 121.71 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 1.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' B' ' 97' ' ' PRO . 35.2 p90 -123.57 169.25 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.539 ' OG1' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -114.4 163.97 14.6 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 1.0 110.402 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.746 ' CG2' ' CE2' ' B' ' 86' ' ' PHE . 0.9 OUTLIER -152.64 128.92 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 1.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' B' ' 93' ' ' THR . 0.5 OUTLIER -98.87 98.41 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 1.0 110.019 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 1.196 ' CE1' HD23 ' B' ' 63' ' ' LEU . 44.0 m-85 -83.51 93.2 7.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 37.2 tt0 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.353 -0.239 . . . . 1.0 110.353 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 0.0 OUTLIER -148.02 98.82 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 1.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' B' ' 85' ' ' SER . 1.3 m -106.09 158.68 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 1.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.721 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.1 t -134.72 93.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.943 HG22 HG12 ' B' ' 121' ' ' ILE . 65.6 t -92.07 143.24 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -125.33 70.29 62.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.888 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.1 Cg_endo -75.04 160.58 39.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.539 1.81 . . . . 1.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.49 HD12 ' HD2' ' A' ' 72' ' ' ARG . 11.7 mt -112.66 115.11 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.591 ' OD2' ' CZ ' ' B' ' 101' ' ' PHE . 1.5 t70 -86.8 145.94 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.437 ' NE2' ' OE2' ' B' ' 77' ' ' GLU . 15.7 t-160 -139.64 111.66 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.591 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 17.8 m-85 -107.28 140.13 40.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.5 ' CZ ' ' OG ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -126.84 102.93 7.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 1.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' B' ' 109' ' ' VAL . 3.1 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' B' ' 103' ' ' PHE . 47.2 t -70.18 116.6 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' B' ' 31' ' ' ALA . 84.1 t -124.89 2.15 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 1.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' SER . . . . . 0.5 ' OG ' ' CZ ' ' B' ' 102' ' ' ARG . 0.6 OUTLIER -136.81 128.71 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 1.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.804 ' HB2' HG13 ' B' ' 36' ' ' VAL . 2.0 mpt? -141.01 134.87 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HG3' ' B' ' 37' ' ' GLU . 3.9 tmm_? -154.32 142.72 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -111.19 174.82 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.634 ' HA ' HG22 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -148.86 95.8 2.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -101.49 -174.33 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.622 ' O ' HD12 ' B' ' 121' ' ' ILE . . . -175.18 -176.44 43.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.447 1.092 . . . . 1.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -110.52 12.39 22.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 0.788 . . . . 1.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 10.27 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -129.99 17.62 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 1.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.943 HG12 HG22 ' B' ' 95' ' ' VAL . 13.2 mt -111.42 139.01 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 1.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.13 77.08 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 1.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.411 ' HA ' ' OG1' ' B' ' 93' ' ' THR . . . -79.69 124.72 28.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . -149.36 173.37 29.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 1.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 103' ' ' PHE . 12.8 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -142.38 154.86 64.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.774 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 18.2 Cg_endo -74.99 -28.48 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 1.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -47.65 81.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 1.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.686 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.5 m170 -72.24 -45.02 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 1.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.811 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.29 -51.75 63.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.82 -50.18 71.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 1.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.08 -43.26 51.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 6' ' ' HIS . 76.7 t -61.78 -50.78 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.638 HG22 ' CE1' ' A' ' 80' ' ' PHE . 10.8 t -52.45 -39.27 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.91 -54.77 37.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.207 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -39.19 72.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 1.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.25 -50.23 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -56.46 -55.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.182 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.56 43.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 1.037 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -60.16 -26.63 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' O ' HD21 ' A' ' 59' ' ' LEU . 9.4 tp -71.56 -53.35 14.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 1.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.6 -35.41 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 1.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -70.31 -30.8 67.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.466 ' HA2' HD22 ' A' ' 59' ' ' LEU . . . 80.91 47.24 6.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 1.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 1.037 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -108.07 87.36 2.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.747 . . . . 1.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.5 mt -63.39 -52.82 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -46.88 -47.0 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.65 -60.81 6.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.597 1.186 . . . . 1.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 22' ' ' ASP . 2.1 mt -42.36 -39.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 1.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.908 HG21 ' HG3' ' A' ' 52' ' ' ARG . 74.7 t -66.06 -49.0 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.52 -12.61 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.536 HD21 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -65.88 -44.43 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.932 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.6 p90 -115.83 -176.08 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.682 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -48.55 172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 1.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.674 ' O ' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -99.97 -11.0 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 1.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -121.15 9.57 10.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -52.5 162.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.456 HG23 ' CB ' ' A' ' 46' ' ' SER . 1.5 m -117.56 115.58 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 1.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.843 HG13 ' HG3' ' A' ' 112' ' ' MET . 3.5 t -109.2 139.78 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 109.195 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -137.9 112.16 8.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.681 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 2.6 t0 -155.22 140.01 11.96 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.681 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.07 -80.88 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.955 -2.519 . . . . 1.0 110.95 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.1 OUTLIER -155.78 151.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 1.0 109.246 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.601 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 160.37 -60.94 0.3 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.6 m 151.19 68.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 1.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.93 80.92 0.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 176.6 9.71 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 1.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.621 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 4.6 mtp180 -142.82 106.96 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.456 ' CB ' HG23 ' A' ' 35' ' ' THR . 0.4 OUTLIER -103.41 129.48 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.02 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 50' ' ' ALA . . . 112.62 122.86 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.459 1.1 . . . . 1.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -40.29 -28.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 1.0 110.401 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -63.4 -52.97 59.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -69.17 -36.5 77.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.932 HG21 ' CE1' ' A' ' 30' ' ' PHE . 36.3 mt -57.83 -49.81 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.908 ' HG3' HG21 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -62.68 -47.86 81.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 1.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -43.86 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 1.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -69.27 -68.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.0 110.956 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.617 ' O ' HD12 ' A' ' 59' ' ' LEU . 8.4 m-85 -44.19 -26.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.07 -57.62 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -56.57 -18.92 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t -80.13 -62.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -57.83 -17.68 17.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 1.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -23.99 2.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 1.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 63' ' ' LEU . 9.0 tp -87.83 122.44 70.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.785 HD22 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -155.37 -178.85 7.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.785 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -121.26 147.23 45.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.567 HG22 ' HB ' ' A' ' 84' ' ' VAL . 20.9 t -124.62 139.44 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -156.95 149.84 23.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 2.5 mt -85.07 178.49 7.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.489 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER 174.16 -33.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.544 ' NE2' ' HB2' ' A' ' 70' ' ' GLU . 14.2 tm0? -74.59 -78.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.544 ' HB2' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER 161.81 -173.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 1.0 110.254 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.925 HG22 ' CB ' ' A' ' 80' ' ' PHE . 57.6 t -127.72 148.53 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 71' ' ' VAL . 1.4 tpp180 -125.13 87.13 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 110.274 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.811 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -85.8 127.2 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.719 HG12 HD23 ' B' ' 115' ' ' LEU . 0.3 OUTLIER 179.92 158.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.68 ' HB2' ' HB ' ' B' ' 40' ' ' VAL . . . 51.17 54.85 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ALA . 8.5 m120 39.64 30.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 3.1 mt-10 -141.86 128.86 20.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.751 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -100.17 106.64 18.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.919 ' HB2' ' ND1' ' A' ' 100' ' ' HIS . . . -110.77 100.46 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.925 ' CB ' HG22 ' A' ' 71' ' ' VAL . 19.0 p90 -118.15 159.67 22.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 1.0 110.977 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.644 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . . . -123.47 138.26 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 3.0 p90 -140.81 -176.26 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.489 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -120.58 164.28 16.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.0 110.453 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.567 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -145.89 123.22 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.61 112.65 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 95' ' ' VAL . 4.4 p90 -142.44 137.6 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 1.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 1.0 110.254 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.907 ' HB3' ' HB3' ' A' ' 125' ' ' ALA . 17.9 tttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 123' ' ' ALA . 13.0 m -157.52 144.03 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 1.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 1.4 p -126.65 113.85 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.106 HG22 HG23 ' A' ' 121' ' ' ILE . 97.7 t -97.34 158.27 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 1.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -129.35 75.73 79.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.58 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.01 169.45 22.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.774 HD13 ' NE ' ' B' ' 72' ' ' ARG . 2.2 mt -136.34 141.98 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -118.46 131.37 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.919 ' ND1' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -120.6 82.86 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 1.0 109.644 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 10.1 m-30 -68.41 147.02 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 1.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.37 102.71 8.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.321 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.737 ' CZ ' HG23 ' A' ' 109' ' ' VAL . 1.3 m-85 -91.26 124.68 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 1.5 m120 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.726 ' O ' HG23 ' A' ' 110' ' ' VAL . 8.9 mttt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.737 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 21.5 t -40.83 116.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 1.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 108' ' ' LYS . 29.9 t -136.38 13.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -174.01 160.74 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 110.026 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.843 ' HG3' HG13 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -166.67 124.82 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -112.21 120.92 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 1.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -99.56 162.25 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.467 ' HG ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -156.17 121.07 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 117' ' ' GLY . 0.5 OUTLIER -160.17 173.52 15.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.068 . . . . 1.0 111.044 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.606 ' HA2' HD11 ' A' ' 121' ' ' ILE . . . 80.75 177.84 51.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 1.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.813 ' HB2' HG23 ' B' ' 74' ' ' VAL . 3.2 mt-10 61.79 63.1 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.603 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 96.59 -23.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.429 ' HB2' ' N ' ' A' ' 117' ' ' GLY . 1.9 m-20 -69.42 -9.33 53.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 1.106 HG23 HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -98.73 139.45 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 123' ' ' ALA . 88.0 m-70 -135.17 92.98 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 1.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.761 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -49.14 176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' ALA . . . 168.88 172.78 36.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.907 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 1.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.534 0.207 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.62 113.66 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -126.59 155.53 74.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -21.51 15.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 41.0 tp10 -68.18 -47.72 67.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -75.0 -42.53 57.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 1.0 109.632 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.467 ' HA ' ' CZ ' ' B' ' 103' ' ' PHE . 0.1 OUTLIER -61.24 -56.55 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -62.4 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 1.0 110.475 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -54.11 -41.24 68.1 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.417 1.073 . . . . 1.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.17 -51.81 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.65 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 2.5 t -51.56 -43.15 31.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -62.59 -46.35 88.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -40.31 85.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.26 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -63.37 -45.38 91.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.87 -52.49 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.639 ' HB1' ' OD1' ' B' ' 22' ' ' ASP . . . -43.35 -37.98 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.624 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.2 tp -64.65 -51.6 61.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 1.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.36 -49.66 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.44 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.62 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 73.79 47.59 19.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 1.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.639 ' OD1' ' HB1' ' B' ' 17' ' ' ALA . 4.5 p30 -96.67 106.92 19.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 1.0 109.228 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.809 HD12 ' HG3' ' B' ' 52' ' ' ARG . 0.1 OUTLIER -73.64 -58.51 3.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.0 -32.33 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 1.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -72.27 -70.15 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.624 HD11 ' HA ' ' B' ' 18' ' ' LEU . 7.7 mt -45.02 -36.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.766 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.61 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 14.8 t -71.02 -41.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 1.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.59 -10.55 59.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -63.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.61 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 43.1 p90 -90.04 -176.14 4.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -56.53 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.642 ' O ' HG22 ' B' ' 48' ' ' THR . 0.3 OUTLIER -110.23 -14.42 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.401 1.063 . . . . 1.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -115.58 4.49 14.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -51.5 175.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.841 HG22 ' CB ' ' B' ' 46' ' ' SER . 71.7 p -131.79 137.28 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 1.0 110.378 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' B' ' 54' ' ' PHE . 21.2 t -110.89 147.56 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 1.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 3.1 mt-10 -140.52 94.54 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.563 ' CG ' ' HB3' ' B' ' 114' ' ' ALA . 5.3 m-20 -141.88 131.01 12.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.485 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.04 -68.83 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.994 -2.502 . . . . 1.0 110.962 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.68 ' HB ' ' HB2' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -150.48 143.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 1.0 109.349 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.8 26.09 2.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 1.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 22.8 t -106.37 50.28 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 1.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.402 ' HB3' ' NH2' ' B' ' 45' ' ' ARG . 1.0 OUTLIER 53.15 92.82 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 110.276 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.464 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -74.96 143.84 29.69 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 35' ' ' THR . 6.9 mmp_? -97.03 155.15 16.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.841 ' CB ' HG22 ' B' ' 35' ' ' THR . 51.5 p -138.84 104.26 5.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 1.0 110.053 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.51 141.35 4.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.642 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -58.91 -15.52 13.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 1.0 110.38 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.73 -66.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.91 -26.3 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.708 HG12 HG23 ' B' ' 36' ' ' VAL . 10.8 mt -72.19 -42.18 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 1.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.809 ' HG3' HD12 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -64.06 -46.24 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.83 -38.26 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.974 ' CE2' HG11 ' B' ' 36' ' ' VAL . 4.5 t80 -66.24 -49.78 66.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.508 ' CE2' HG23 ' B' ' 51' ' ' ILE . 3.9 m-85 -59.33 -59.37 5.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -51.0 -52.21 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' B' ' 60' ' ' LYS . 25.9 t-20 -54.05 -37.2 63.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -65.44 -59.76 3.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.949 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.62 HD22 ' HA2' ' B' ' 21' ' ' GLY . 1.2 mt -57.09 -18.69 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 3.6 ttpp -44.77 -26.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.724 HD23 HD23 ' B' ' 63' ' ' LEU . 11.3 tp -87.3 127.78 57.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 1.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 60.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 1.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.724 HD23 HD23 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -107.35 -176.68 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 84' ' ' VAL . . . -137.22 159.22 42.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.677 HG13 ' CD2' ' B' ' 82' ' ' PHE . 53.8 t -133.2 147.04 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -157.9 130.95 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.658 HD11 ' HD2' ' B' ' 80' ' ' PHE . 1.7 mm? -71.1 131.71 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.4 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 2.8 t -142.76 14.95 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.66 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 7.4 mp0 -140.15 -172.3 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.49 171.82 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.937 HG22 ' CB ' ' B' ' 80' ' ' PHE . 58.3 t -127.24 109.04 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 1.007 ' NH2' HG21 ' B' ' 98' ' ' ILE . 9.9 mtm180 -69.43 59.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' B' ' 77' ' ' GLU . . . -83.14 91.05 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 1.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -160.6 152.97 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 55.0 58.81 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 1.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 76' ' ' ASN . 0.3 OUTLIER 44.33 25.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 1.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' B' ' 73' ' ' ALA . 1.5 tt0 -122.84 159.16 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.524 ' HB1' HG21 ' B' ' 11' ' ' VAL . . . -146.85 87.72 1.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.818 ' HB3' ' HB2' ' B' ' 72' ' ' ARG . . . -105.38 85.85 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.937 ' CB ' HG22 ' B' ' 71' ' ' VAL . 42.4 p90 -105.02 157.87 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.66 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -109.04 136.58 48.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.677 ' CD2' HG13 ' B' ' 65' ' ' VAL . 45.8 p90 -142.11 165.32 27.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.4 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.1 OUTLIER -104.76 156.56 17.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 110.431 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.52 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.6 OUTLIER -134.43 125.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.246 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.9 m -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' B' ' 95' ' ' VAL . 0.5 OUTLIER -161.49 146.97 13.76 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 1.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.671 ' CD ' ' HB1' ' B' ' 123' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.282 -0.266 . . . . 1.0 110.282 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.537 ' HG3' ' HB3' ' B' ' 125' ' ' ALA . 15.5 mttp -80.05 156.21 27.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 27.0 m -157.13 149.15 22.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.406 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -129.47 119.14 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.686 HG22 HG12 ' B' ' 121' ' ' ILE . 40.8 t -99.48 166.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 1.037 ' HB3' ' ND2' ' B' ' 120' ' ' ASN . . . -140.15 70.66 34.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.567 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 166.69 28.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.787 . . . . 1.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 1.007 HG21 ' NH2' ' B' ' 72' ' ' ARG . 17.2 mt -116.12 115.55 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.669 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.5 m-20 -85.38 119.18 25.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -119.43 109.35 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.617 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 101' ' ' PHE . 6.2 m-30 -116.05 132.22 56.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 1.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -110.98 103.92 12.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.92 ' CB ' HG22 ' B' ' 109' ' ' VAL . 2.6 p90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 1.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' B' ' 103' ' ' PHE . 15.3 mttp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.92 HG22 ' CB ' ' B' ' 103' ' ' PHE . 2.6 t -112.81 117.04 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.546 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 95.7 t -122.12 -5.07 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -134.14 137.67 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 1.0 109.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.599 ' HE2' ' CD1' ' B' ' 30' ' ' PHE . 1.6 mtt -151.16 136.03 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -146.67 170.36 17.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.563 ' HB3' ' CG ' ' B' ' 38' ' ' ASP . . . -148.32 97.11 2.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.719 HD23 HG12 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -72.98 97.03 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 1.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' B' ' 117' ' ' GLY . 0.9 OUTLIER -116.63 114.37 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' A' ' 74' ' ' VAL . . . -99.32 173.26 26.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' B' ' 118' ' ' GLU . 7.0 tt0 -97.63 23.13 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 1.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' LYS . . . . . 0.412 ' C ' ' NH1' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -123.33 15.78 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 1.037 ' ND2' ' HB3' ' B' ' 96' ' ' ALA . 0.1 OUTLIER -130.5 43.08 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.686 HG12 HG22 ' B' ' 95' ' ' VAL . 4.5 mt -129.49 140.66 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.42 ' HB2' HG12 ' B' ' 94' ' ' VAL . 5.5 m-70 -135.34 111.68 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.671 ' HB1' ' CD ' ' B' ' 91' ' ' ARG . . . -83.72 168.03 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.1 173.31 38.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.537 ' HB3' ' HG3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 1.0 109.318 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 m120 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.3 p -100.17 155.57 36.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 110.308 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 18.4 Cg_endo -75.01 -36.26 2.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 1.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.65 -44.42 96.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.955 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.1 t60 -68.83 -47.75 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 1.0 109.591 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.574 ' CB ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.33 -53.8 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -57.5 -47.32 82.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.435 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 6' ' ' HIS . 93.5 t -64.39 -42.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.768 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.0 t -57.94 -54.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.263 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -52.47 -44.89 65.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 1.0 110.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.12 98.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.68 -44.6 93.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' VAL . 95.5 t -61.05 -62.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.49 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 1.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.676 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -59.82 -32.31 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 1.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.93 -55.63 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -19.32 63.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.5 -15.48 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.89 39.31 97.35 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.56 1.163 . . . . 1.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.635 ' O ' HD12 ' A' ' 26' ' ' ILE . 10.1 m-20 -95.22 90.57 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 1.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 27' ' ' VAL . 15.2 mt -68.97 -43.58 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.29 -52.87 63.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.67 -61.54 6.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.71 HG22 ' HE2' ' A' ' 30' ' ' PHE . 36.3 mt -44.77 -36.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 23' ' ' LEU . 4.8 t -68.92 -43.14 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -69.65 -14.41 62.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 1.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.64 -67.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 1.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' HE2' HG22 ' A' ' 26' ' ' ILE . 24.1 p90 -87.38 -175.6 5.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 1.183 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -52.17 -176.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 1.016 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -106.42 -19.62 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 p30 -121.35 22.34 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -60.74 168.08 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.542 HG22 ' CB ' ' A' ' 46' ' ' SER . 69.6 p -119.35 110.23 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 1.0 110.446 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.656 HG23 ' CD1' ' A' ' 51' ' ' ILE . 48.9 t -89.68 139.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -137.92 66.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 1.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.919 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -136.79 131.92 18.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 1.0 109.343 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.618 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.98 -83.21 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.019 -2.492 . . . . 1.0 111.028 -0.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.1 OUTLIER -153.36 -173.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 1.0 109.377 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.47 29.92 1.99 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.2 p 47.68 54.31 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 1.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -144.15 62.91 10.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 1.0 110.236 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.98 161.72 38.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 1.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.591 ' HB2' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -142.54 134.1 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.542 ' CB ' HG22 ' A' ' 35' ' ' THR . 10.2 p -117.42 142.42 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.037 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.52 141.29 10.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 1.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.016 HG23 ' O ' ' A' ' 32' ' ' ASP . 4.1 p -58.25 -16.31 13.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 1.0 110.409 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.87 -67.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 1.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 45' ' ' ARG . . . -61.63 -25.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.656 ' CD1' HG23 ' A' ' 36' ' ' VAL . 3.7 mt -69.57 -68.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.511 ' HG3' HD22 ' A' ' 23' ' ' LEU . 24.3 ttp85 -55.67 -32.63 63.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.68 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 38' ' ' ASP . 5.2 t80 -56.07 -53.6 55.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.521 ' HE2' HG21 ' A' ' 36' ' ' VAL . 3.3 m-85 -48.7 -40.8 29.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 1.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.69 31.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -46.59 -40.49 12.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 1.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -52.18 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.452 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -54.67 -19.68 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -41.02 -29.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 109.355 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.538 ' O ' HD12 ' A' ' 63' ' ' LEU . 10.0 tp -92.09 112.43 54.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 1.0 109.368 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 53.65 3.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 1.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.813 HD22 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -90.06 -177.12 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.353 1.033 . . . . 1.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.813 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -119.82 146.75 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.672 HG22 ' HB ' ' A' ' 84' ' ' VAL . 42.5 t -131.8 139.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -153.92 158.7 41.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.28 158.22 21.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 1.0 109.243 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 15.2 t -174.95 34.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.552 1.158 . . . . 1.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.563 ' NE2' ' HB2' ' A' ' 70' ' ' GLU . 13.7 tm0? -149.7 -75.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HB2' ' NE2' ' A' ' 69' ' ' GLN . 0.5 OUTLIER 162.41 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 1.0 110.305 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.899 HG22 ' CB ' ' A' ' 80' ' ' PHE . 87.4 t -134.67 135.25 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -113.22 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.574 ' HB1' ' CB ' ' A' ' 7' ' ' MET . . . -89.58 109.16 20.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.697 ' CG1' HG21 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -163.25 161.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 1.0 109.365 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB2' ' HB ' ' B' ' 40' ' ' VAL . . . 57.49 50.56 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.2 OUTLIER 42.63 28.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 75' ' ' ALA . 6.9 pt-20 -145.11 142.35 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.639 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -104.63 122.26 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.731 ' HB3' HD22 ' B' ' 115' ' ' LEU . . . -127.92 103.23 7.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.899 ' CB ' HG22 ' A' ' 71' ' ' VAL . 29.8 p90 -122.36 173.44 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.826 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -133.65 137.84 45.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 6.4 p90 -144.17 -179.07 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 1.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.96 167.77 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 1.0 110.413 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.672 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -146.55 123.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.73 125.15 45.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 1.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.935 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.8 p90 -146.93 123.6 11.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.319 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 125' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.55 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 38.8 m -118.5 142.44 47.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 110.362 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 84' ' ' VAL . 1.0 OUTLIER -126.4 117.84 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.031 HG22 HG23 ' A' ' 121' ' ' ILE . 90.7 t -100.42 163.63 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 1.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.471 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -133.26 76.84 67.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.07 156.88 42.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.435 1.755 . . . . 1.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.902 HG21 ' NH2' ' B' ' 72' ' ' ARG . 6.5 mt -119.66 120.97 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.657 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -95.09 139.97 30.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 1.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.544 ' C ' ' CD2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -156.25 106.54 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 1.1 p90 -134.48 154.07 51.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.443 ' HG2' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -118.01 139.89 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.719 ' HB3' HG22 ' A' ' 109' ' ' VAL . 3.6 p90 -149.35 164.07 35.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 1.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 109.22 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.719 HG22 ' HB3' ' A' ' 103' ' ' PHE . 2.0 t -86.52 123.02 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.482 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 57.4 t -118.52 -0.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.98 127.37 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.699 ' HE2' ' CG ' ' A' ' 30' ' ' PHE . 1.6 mtt -143.2 138.66 29.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 2.1 ptm180 -144.39 140.63 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.919 ' HB3' ' HB3' ' A' ' 38' ' ' ASP . . . -139.92 136.22 33.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.694 HD22 HH11 ' B' ' 72' ' ' ARG . 6.2 mp -120.59 133.88 55.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.684 ' O ' HG21 ' B' ' 74' ' ' VAL . 0.5 OUTLIER -147.77 177.97 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.563 ' HA2' HD11 ' A' ' 121' ' ' ILE . . . 68.63 -177.61 26.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.635 ' HB2' HG23 ' B' ' 74' ' ' VAL . 0.3 OUTLIER 65.55 64.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 1.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 89.48 -17.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 1.0 109.266 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.45 HD22 ' HG3' ' B' ' 72' ' ' ARG . 4.8 m120 -73.85 -11.99 60.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 1.031 HG23 HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -94.82 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -134.44 89.98 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 1.0 109.564 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.426 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -64.64 159.44 21.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . 179.71 179.22 48.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.498 0.763 . . . . 1.0 109.211 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.54 0.21 . . . . 1.0 111.075 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' B' ' 76' ' ' ASN . 22.7 m-20 -139.19 60.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.4 p -96.25 155.36 38.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 1.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.89 3.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -66.03 -41.74 90.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 110.185 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.458 ' O ' HG23 ' B' ' 10' ' ' VAL . 1.0 OUTLIER -71.59 -44.38 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 109.575 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.586 ' HE3' ' HB1' ' B' ' 73' ' ' ALA . 34.3 mtm -59.37 -58.97 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -58.37 -49.82 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -52.73 -45.02 66.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.635 HG13 HD21 ' B' ' 29' ' ' LEU . 3.1 t -57.86 -47.14 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.735 HG22 ' CD2' ' B' ' 101' ' ' PHE . 18.9 t -55.63 -38.9 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -62.92 -60.34 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ttp-105 -52.52 -34.16 48.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -67.86 -56.37 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.71 -46.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 1.0 109.279 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.97 -60.32 3.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.493 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -50.29 -28.38 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 1.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.76 ' HA ' HD11 ' B' ' 26' ' ' ILE . 14.4 tp -71.58 -57.94 3.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 1.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.86 -17.22 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 1.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.72 -29.38 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.509 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 76.55 55.3 4.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 1.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' B' ' 22' ' ' ASP . 0.9 OUTLIER -112.65 66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 0.763 . . . . 1.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.505 ' O ' HG23 ' B' ' 27' ' ' VAL . 10.6 mt -43.85 -38.17 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -60.24 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.189 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.12 -59.63 10.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.76 HD11 ' HA ' ' B' ' 18' ' ' LEU . 48.9 mt -42.14 -37.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.452 0.736 . . . . 1.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.579 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.0 t -68.62 -49.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -62.03 -14.59 37.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 1.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.635 HD21 HG13 ' B' ' 10' ' ' VAL . 0.6 OUTLIER -59.78 -54.01 51.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 1.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' B' ' 51' ' ' ILE . 24.7 p90 -102.11 -178.82 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -51.95 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.982 ' O ' HG23 ' B' ' 48' ' ' THR . 3.4 t70 -103.03 -17.68 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 1.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.92 21.31 11.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.65 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -63.93 -178.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 1.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.637 HG22 ' HB2' ' B' ' 46' ' ' SER . 28.5 p -134.38 117.49 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 1.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.62 HG23 HG12 ' B' ' 51' ' ' ILE . 98.4 t -93.11 145.28 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 1.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 4.1 mp0 -128.07 65.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.596 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 0.2 OUTLIER -110.17 138.86 20.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 1.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.811 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.5 Cg_endo -74.99 -38.81 1.64 Allowed 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.996 -2.501 . . . . 1.0 111.019 -0.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.775 HG12 ' H ' ' B' ' 41' ' ' GLY . 2.2 t -128.36 -174.77 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.775 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -54.39 -18.11 9.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.447 1.092 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 7.2 t -82.19 50.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.4 mt-10 160.51 70.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.444 ' O ' ' NE ' ' B' ' 45' ' ' ARG . 18.6 Cg_endo -75.05 154.64 42.41 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.472 1.774 . . . . 1.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.894 ' HG3' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -151.86 96.57 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.637 ' HB2' HG22 ' B' ' 35' ' ' THR . 16.9 p -96.6 139.4 32.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 1.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.7 146.58 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 1.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.982 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.9 p -60.13 -14.61 17.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 1.0 110.401 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.71 -66.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.894 ' HB1' ' HG3' ' B' ' 45' ' ' ARG . . . -62.66 -32.25 73.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.669 HG21 ' CE1' ' B' ' 30' ' ' PHE . 25.1 mt -63.94 -66.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -56.85 -30.55 63.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 1.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.0 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 1.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 1.8 t80 -60.39 -54.68 42.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 1.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.463 ' OH ' ' CE ' ' B' ' 112' ' ' MET . 0.2 OUTLIER -46.83 -39.66 12.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 1.0 110.982 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -50.57 57.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.29 -19.02 53.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -81.43 -69.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.753 HD11 HD12 ' B' ' 18' ' ' LEU . 0.6 OUTLIER -56.03 -18.88 10.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 1.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.446 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.8 tp -91.44 135.74 27.66 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 1.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.446 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.06 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 1.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.6 178.32 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 1.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.83 104.4 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.8 HG13 ' CD2' ' B' ' 82' ' ' PHE . 4.1 t -84.29 142.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 1.0 109.197 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -159.98 138.08 10.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 1.0 110.339 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.547 HD23 ' O ' ' B' ' 81' ' ' ALA . 1.1 mt -75.11 141.11 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.464 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 2.2 t -155.99 23.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.484 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -134.39 -78.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.47 170.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.893 HG22 ' CB ' ' B' ' 80' ' ' PHE . 89.3 t -119.1 136.53 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.902 ' NH2' HG21 ' A' ' 98' ' ' ILE . 6.8 ttm180 -111.2 92.52 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.889 ' O ' HG23 ' B' ' 74' ' ' VAL . . . -93.74 127.82 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 109.374 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 73' ' ' ALA . 2.1 t -170.54 146.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.303 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.549 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 49.05 67.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' B' ' 76' ' ' ASN . 3.2 p-10 38.78 30.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.567 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 2.4 tt0 -125.6 160.23 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -148.52 100.64 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.885 ' HB2' ' CE1' ' B' ' 100' ' ' HIS . . . -113.8 101.74 9.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.893 ' CB ' HG22 ' B' ' 71' ' ' VAL . 49.7 p90 -112.9 162.27 16.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 1.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.547 ' O ' HD23 ' B' ' 67' ' ' LEU . . . -117.24 130.95 56.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.8 ' CD2' HG13 ' B' ' 65' ' ' VAL . 46.8 p90 -138.53 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 1.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.464 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -106.18 164.52 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 1.0 110.44 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.499 HG13 ' CD ' ' B' ' 97' ' ' PRO . 0.7 OUTLIER -140.09 116.83 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 4.9 m -91.04 124.91 35.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 110.077 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.1 OUTLIER -167.69 146.01 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 111.021 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 110.31 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.305 -0.258 . . . . 1.0 110.305 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.402 ' C ' ' OG1' ' B' ' 93' ' ' THR . 0.0 OUTLIER -76.38 156.76 32.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 1.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.627 HG22 HG23 ' B' ' 121' ' ' ILE . 14.2 m -157.26 151.41 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 1.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.5 OUTLIER -136.22 122.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 1.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.738 HG22 HG13 ' B' ' 121' ' ' ILE . 31.5 t -102.95 165.82 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 1.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.647 ' HB3' ' ND2' ' B' ' 120' ' ' ASN . . . -137.19 68.47 55.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.535 ' HB3' ' CG ' ' B' ' 116' ' ' PHE . 18.4 Cg_endo -74.97 169.66 22.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.461 HG23 ' O ' ' B' ' 80' ' ' PHE . 37.8 mt -121.42 122.9 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -96.24 143.01 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.885 ' CE1' ' HB2' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -132.77 128.3 36.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.604 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.735 ' CD2' HG22 ' B' ' 11' ' ' VAL . 20.6 m-85 -117.38 144.79 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 1.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.793 ' HD3' HH21 ' B' ' 113' ' ' ARG . 5.8 mtp180 -127.9 116.08 19.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' B' ' 109' ' ' VAL . 23.0 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 1.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.447 HG22 ' CD2' ' B' ' 103' ' ' PHE . 39.3 t -81.35 116.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 1.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' B' ' 31' ' ' ALA . 64.5 t -117.49 -7.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 1.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.1 134.88 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.478 ' HG2' HG13 ' B' ' 36' ' ' VAL . 5.3 ttp -146.77 142.4 27.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 1.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.793 HH21 ' HD3' ' B' ' 102' ' ' ARG . 2.8 mtt180 -155.1 162.92 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.811 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -136.09 179.88 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -152.92 99.28 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.364 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.535 ' CG ' ' HB3' ' B' ' 97' ' ' PRO . 6.3 m-85 -106.68 130.03 54.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.585 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -110.27 177.19 19.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 1.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -105.81 -14.56 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 1.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -99.47 17.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.767 ' C ' HD12 ' B' ' 121' ' ' ILE . 0.1 OUTLIER -123.35 39.14 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 1.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.767 HD12 ' C ' ' B' ' 120' ' ' ASN . 3.7 mp -130.29 153.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.495 ' HB2' HG12 ' B' ' 94' ' ' VAL . 3.2 m80 -142.46 111.82 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.619 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.53 164.7 17.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 1.0 109.389 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.39 42.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 1.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 1.0 109.318 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.322 -0.622 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -124.12 155.52 67.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 1.0 110.336 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -32.0 5.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 1.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.24 -53.55 42.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.199 . . . . 1.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -41.41 94.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.734 ' O ' HG23 ' A' ' 11' ' ' VAL . 8.3 mtm -57.95 -57.98 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -54.92 -42.11 71.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.89 95.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -65.9 -30.14 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.815 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 98.9 t -67.4 -44.63 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -46.51 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.78 90.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.0 110.252 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.612 ' HA ' HD13 ' A' ' 29' ' ' LEU . 29.5 t80 -60.7 -54.07 49.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 1.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.16 -56.38 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.61 -47.25 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.416 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -60.83 -41.69 96.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 1.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' HA ' HD11 ' A' ' 26' ' ' ILE . 58.5 tp -58.07 -53.88 53.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -60.99 -27.85 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -15.23 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 69.52 27.88 72.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 1.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.551 ' O ' HD12 ' A' ' 26' ' ' ILE . 13.6 t0 -84.21 85.55 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -62.96 -37.02 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -61.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -43.18 26.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.599 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 52.2 mt -65.93 -44.63 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.606 0.827 . . . . 1.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 23' ' ' LEU . 15.6 t -63.78 -20.35 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.44 -24.9 18.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -53.69 -42.07 67.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 1.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 3.7 p90 -114.57 178.23 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 1.0 111.062 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -45.48 169.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 1.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 1.026 ' O ' HG23 ' A' ' 48' ' ' THR . 1.4 m-20 -96.16 -17.11 21.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -120.17 32.22 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -80.51 175.67 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.768 HG22 ' CB ' ' A' ' 46' ' ' SER . 9.6 p -130.92 136.5 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 1.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.814 HG21 HG23 ' A' ' 51' ' ' ILE . 13.6 t -113.2 141.98 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -127.3 94.49 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -141.26 121.72 8.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 1.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.492 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -75.04 -80.01 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.948 -2.522 . . . . 1.0 110.998 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.95 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.2 OUTLIER -152.49 151.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . -168.61 -73.5 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.7 p 156.64 51.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 0.75 . . . . 1.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 42' ' ' SER . 0.1 OUTLIER 164.62 88.16 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 1.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.0 148.76 35.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 1.0 111.053 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.922 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -74.03 113.44 11.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 110.343 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.768 ' CB ' HG22 ' A' ' 35' ' ' THR . 78.3 p -99.4 141.92 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 1.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 123.85 5.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.437 1.085 . . . . 1.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.026 HG23 ' O ' ' A' ' 32' ' ' ASP . 7.7 p -41.37 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 1.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -55.62 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.922 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -63.85 -49.03 74.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.814 HG23 HG21 ' A' ' 36' ' ' VAL . 8.8 mt -51.22 -52.4 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 1.9 tmm_? -63.66 -34.98 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 1.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -50.17 69.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 1.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE1' ' HD2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -69.59 -61.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 111.029 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.748 ' HE1' HG11 ' A' ' 36' ' ' VAL . 11.2 m-85 -49.66 -22.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.684 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -80.85 -67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -50.65 -22.95 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 1.0 109.252 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m -80.0 -56.61 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.5 mt -55.99 -19.78 13.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -52.21 -22.01 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.6 139.86 21.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.52 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 1.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.942 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -94.38 132.59 38.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 1.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.771 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -109.06 103.85 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.68 HG23 HD11 ' A' ' 63' ' ' LEU . 2.2 t -94.0 147.13 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.74 137.63 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 81' ' ' ALA . 1.6 mt -67.57 156.33 37.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 1.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.549 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 1.2 t 179.68 51.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 68' ' ' THR . 5.1 mp0 -156.19 -85.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 1.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.446 ' CD ' ' NH1' ' A' ' 72' ' ' ARG . 3.2 pt-20 -171.1 168.03 6.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.491 1.12 . . . . 1.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.915 HG22 ' CB ' ' A' ' 80' ' ' PHE . 98.1 t -131.31 122.13 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.661 ' HD3' HD12 ' B' ' 98' ' ' ILE . 8.6 mpt_? -99.06 103.0 14.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.96 120.57 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 HG21 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -178.71 156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . 54.84 55.95 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER 39.05 30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.353 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' ALA . 4.9 mt-10 -138.7 123.91 19.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 1.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.699 ' HB2' ' SD ' ' A' ' 7' ' ' MET . . . -106.81 130.42 54.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.865 ' O ' HG13 ' A' ' 71' ' ' VAL . . . -124.25 165.97 16.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 1.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.915 ' CB ' HG22 ' A' ' 71' ' ' VAL . 11.6 p90 -174.52 150.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.752 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -107.16 119.52 39.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.186 . . . . 1.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.588 ' CD2' HG13 ' A' ' 65' ' ' VAL . 49.2 p90 -122.73 165.85 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -105.99 159.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.57 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -134.67 115.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.61 112.27 24.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 1.0 110.035 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.446 ' HE1' HG23 ' A' ' 95' ' ' VAL . 1.6 p90 -152.95 149.45 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 1.0 110.238 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.401 ' C ' ' OG1' ' A' ' 93' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.493 HG23 ' HA ' ' A' ' 123' ' ' ALA . 10.1 m -156.94 144.84 19.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -127.81 114.86 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 121' ' ' ILE . 16.3 t -97.22 167.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.462 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -139.84 66.52 33.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.824 ' HA ' HH21 ' B' ' 72' ' ' ARG . 18.2 Cg_endo -75.07 163.82 34.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.547 1.814 . . . . 1.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.71 HG22 ' CE1' ' A' ' 100' ' ' HIS . 15.9 mt -112.04 148.67 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 4.8 m-20 -128.02 141.45 51.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.743 ' CE1' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -150.94 133.09 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.815 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -140.1 156.88 46.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 59.2 ttt180 -108.58 159.66 16.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 1.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 13.2 m-85 -125.75 152.04 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 23.7 t -75.55 120.94 26.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.561 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 74.1 t -118.82 -4.18 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 1.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.01 139.63 21.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 1.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.76 ' HG3' HG13 ' A' ' 36' ' ' VAL . 24.0 ptp -154.16 151.09 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -142.82 172.44 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . . . -147.07 107.32 4.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.796 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.6 OUTLIER -81.37 91.15 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.536 ' CE1' HG11 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -109.14 88.86 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 1.0 110.942 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.29 -170.87 37.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 121' ' ' ILE . 1.7 mp0 -116.9 44.48 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 1.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.45 ' HZ2' ' HB3' ' B' ' 73' ' ' ALA . 4.6 ptmt -141.57 15.07 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.492 ' HB2' ' CZ ' ' B' ' 72' ' ' ARG . 0.9 OUTLIER -131.61 40.91 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.637 HG23 HG22 ' A' ' 95' ' ' VAL . 2.2 mt -119.66 140.2 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 1.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -134.65 98.89 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 1.0 109.607 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -61.49 175.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 1.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.55 173.69 37.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 1.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 109.315 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.19 . . . . 1.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 175.42 124.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 1.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.795 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.7 OUTLIER -139.29 150.38 64.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 1.0 110.395 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.55 ' HB3' ' HB3' ' B' ' 73' ' ' ALA . 18.1 Cg_endo -75.07 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -46.55 86.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 1.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.795 ' HB2' HG23 ' B' ' 3' ' ' THR . 2.5 m80 -70.19 -48.65 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 1.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.526 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -50.9 -49.26 59.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -63.01 -51.34 67.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.82 -40.03 59.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 1.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' B' ' 29' ' ' LEU . 3.2 t -66.35 -40.17 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.845 ' O ' HG23 ' B' ' 15' ' ' VAL . 3.4 t -59.49 -46.69 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -55.67 31.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -55.94 -39.91 72.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' B' ' 29' ' ' LEU . 39.2 t80 -64.03 -45.44 88.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 1.132 HG21 ' CE2' ' B' ' 82' ' ' PHE . 60.7 t -63.23 -66.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.41 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.268 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.74 78.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.599 ' HA ' HD11 ' B' ' 26' ' ' ILE . 45.3 tp -53.31 -54.15 40.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -60.58 -30.76 70.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 1.0 109.219 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.79 -16.68 61.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 1.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 74.43 29.27 62.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.61 1.194 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.614 ' O ' HD12 ' B' ' 26' ' ' ILE . 15.5 t0 -88.24 82.24 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.772 ' O ' HG23 ' B' ' 27' ' ' VAL . 1.1 mt -61.78 -51.39 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 1.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -59.31 -62.04 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.72 -42.55 21.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 1.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.614 HD12 ' O ' ' B' ' 22' ' ' ASP . 38.2 mt -63.65 -41.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 0.702 . . . . 1.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.772 HG23 ' O ' ' B' ' 23' ' ' LEU . 79.6 t -65.09 -26.11 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.76 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -55.89 -44.2 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.4 p90 -113.28 -175.21 2.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 1.0 110.968 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.647 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -44.15 166.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.697 ' O ' HG23 ' B' ' 48' ' ' THR . 44.0 m-20 -89.33 -19.39 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 1.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -121.91 15.32 10.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.796 ' HA ' HG13 ' B' ' 110' ' ' VAL . . . -42.43 163.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.2 p -125.97 109.7 12.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.702 HG23 HG12 ' B' ' 51' ' ' ILE . 18.5 t -88.0 157.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 3.0 mt-10 -154.26 76.3 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -138.63 152.64 71.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.617 1.198 . . . . 1.0 109.299 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.63 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.047 -2.481 . . . . 1.0 110.983 0.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.817 HG21 HG11 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -164.2 -176.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.91 28.65 30.95 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.497 1.123 . . . . 1.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 99.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 0.721 . . . . 1.0 109.984 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.417 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 0.6 OUTLIER -161.18 63.57 1.76 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 153.65 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.779 . . . . 1.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' B' ' 54' ' ' PHE . 3.0 ptt180 -154.25 98.93 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -95.57 134.01 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 142.36 11.33 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.521 1.138 . . . . 1.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.697 HG23 ' O ' ' B' ' 32' ' ' ASP . 40.1 p -56.47 -17.28 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -69.7 -57.69 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' B' ' 45' ' ' ARG . . . -66.43 -38.11 86.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.702 HG12 HG23 ' B' ' 36' ' ' VAL . 59.1 mt -63.18 -65.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -38.17 64.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 1.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 3.8 mm-40 -55.29 -56.12 23.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 1.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.634 ' CG ' ' CZ ' ' B' ' 45' ' ' ARG . 7.6 t80 -67.25 -60.05 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.504 ' O ' HD12 ' B' ' 59' ' ' LEU . 9.7 m-85 -44.16 -30.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.38 -52.41 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -53.15 -29.7 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 -55.22 5.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.504 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.4 OUTLIER -55.15 -19.4 7.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 1.0 109.359 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.74 -28.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.974 HD11 ' O ' ' B' ' 87' ' ' GLU . 12.2 tp -105.4 138.83 19.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.457 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.99 54.73 3.73 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.6 1.842 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -79.1 -176.53 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 84' ' ' VAL . . . -143.03 156.38 44.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.458 1.099 . . . . 1.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -141.6 140.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -161.35 137.86 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.772 ' CD1' ' CZ ' ' B' ' 82' ' ' PHE . 0.8 OUTLIER -71.2 167.62 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.595 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.4 OUTLIER -165.45 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 1.0 110.365 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 3.9 mp0 -77.24 -84.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.453 ' CD ' ' ND2' ' A' ' 120' ' ' ASN . 0.1 OUTLIER 176.48 -177.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 110.296 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' B' ' 80' ' ' PHE . 21.8 t -129.03 123.93 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.824 HH21 ' HA ' ' A' ' 97' ' ' PRO . 3.7 mmt180 -102.24 95.47 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' B' ' 4' ' ' PRO . . . -95.38 121.1 36.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 0.4 OUTLIER -177.33 167.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.95 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 51.51 45.77 27.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 49.32 37.96 12.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 1.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.796 ' OE2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -147.52 169.53 19.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.499 ' O ' ' CE1' ' B' ' 80' ' ' PHE . . . -141.79 105.7 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.45 103.95 13.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' B' ' 71' ' ' VAL . 0.1 OUTLIER -116.54 163.56 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -118.54 108.95 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 1.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 1.132 ' CE2' HG21 ' B' ' 15' ' ' VAL . 18.3 m-85 -107.88 168.68 9.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.595 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -120.67 121.76 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 1.0 110.361 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.694 ' CG2' ' CE1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -99.35 167.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' B' ' 93' ' ' THR . 2.4 t -152.03 110.94 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.694 ' CE1' ' CG2' ' B' ' 84' ' ' VAL . 7.3 m-30 -101.35 172.86 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.107 . . . . 1.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.974 ' O ' HD11 ' B' ' 61' ' ' LEU . 22.2 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 110.247 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.26 -0.274 . . . . 1.0 110.26 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' B' ' 125' ' ' ALA . 8.4 pttm -131.42 121.89 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' B' ' 123' ' ' ALA . 1.2 m -124.02 155.45 38.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 1.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 84' ' ' VAL . 0.3 OUTLIER -141.04 126.5 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 1.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.722 HG13 HG13 ' B' ' 121' ' ' ILE . 13.4 t -113.22 170.12 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.66 63.66 21.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.538 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.6 Cg_endo -74.93 167.56 26.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 1.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.661 HD12 ' HD3' ' A' ' 72' ' ' ARG . 1.9 mt -118.99 125.21 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 1.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.651 ' CB ' ' CE2' ' B' ' 80' ' ' PHE . 11.8 m-20 -95.92 125.04 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.604 ' CD2' ' OE1' ' B' ' 77' ' ' GLU . 1.9 t-80 -116.48 99.43 7.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.565 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.406 ' CD2' ' HZ ' ' B' ' 80' ' ' PHE . 10.6 m-30 -89.75 165.57 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 1.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.92 120.76 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.94 ' CE2' HG22 ' B' ' 109' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.94 HG22 ' CE2' ' B' ' 103' ' ' PHE . 12.9 t -90.44 120.54 39.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.796 HG13 ' HA ' ' B' ' 34' ' ' ALA . 91.4 t -120.59 -75.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 134.83 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 1.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.45 ' O ' ' N ' ' B' ' 37' ' ' GLU . 0.6 OUTLIER -160.69 132.94 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -140.34 174.97 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 1.0 110.339 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . . . -132.9 170.27 15.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.514 ' CD2' HG12 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -147.52 105.28 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.504 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 5.9 m-85 -100.67 -175.96 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.48 ' O ' HD12 ' B' ' 121' ' ' ILE . . . -168.13 174.72 43.0 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 1.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -27.28 17.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 0.701 . . . . 1.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.7 15.67 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' B' ' 95' ' ' VAL . 24.0 m120 -124.61 10.93 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.722 HG13 HG13 ' B' ' 95' ' ' VAL . 16.1 mt -117.66 139.41 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -136.83 98.75 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 1.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.479 ' CB ' ' OG1' ' B' ' 93' ' ' THR . . . -96.75 145.88 25.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.389 1.056 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.47 179.19 43.39 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 1.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.578 ' HB3' ' HG2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.571 0.806 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.454 ' ND2' ' CD2' ' A' ' 103' ' ' PHE . 10.2 t-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.747 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.4 OUTLIER -140.69 156.15 69.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.419 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.474 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.1 Cg_endo -75.0 -40.61 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 1.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -63.39 -28.36 69.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.747 ' HB2' HG23 ' A' ' 3' ' ' THR . 10.6 t-160 -77.82 -66.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.629 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.779 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 1.0 OUTLIER -51.04 -41.07 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 73' ' ' ALA . 75.4 m -69.45 -45.02 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -59.04 -36.72 75.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 29' ' ' LEU . 25.5 t -69.53 -39.78 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.77 HG21 ' CE1' ' A' ' 80' ' ' PHE . 3.1 t -58.47 -42.36 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 1.0 109.275 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 1.0 110.33 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.13 -32.66 10.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' OH ' ' CE1' ' A' ' 55' ' ' TYR . 18.8 t80 -63.89 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 1.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.021 HG21 ' CZ ' ' A' ' 82' ' ' PHE . 2.7 t -45.85 -45.3 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.8 78.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.894 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -62.35 -33.61 75.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HA ' HD11 ' A' ' 26' ' ' ILE . 14.4 tp -65.14 -53.12 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -32.51 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.2 66.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 83.91 40.78 8.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.894 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 7.0 p30 -107.72 75.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 1.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 6.6 mt -55.52 -19.28 9.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 1.0 109.345 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -67.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 1.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -28.72 33.01 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.718 HG22 ' HE1' ' A' ' 30' ' ' PHE . 16.2 mt -76.59 -49.36 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.736 HG13 ' CG2' ' A' ' 48' ' ' THR . 11.0 t -65.68 -15.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.72 -25.22 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 10' ' ' VAL . 1.4 mt -58.63 -62.16 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 1.0 109.256 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.718 ' HE1' HG22 ' A' ' 26' ' ' ILE . 50.3 p90 -89.31 -177.87 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.598 1.186 . . . . 1.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -55.87 -178.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -112.54 -15.64 13.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.62 17.77 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 1.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -67.5 176.11 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' CB ' ' A' ' 46' ' ' SER . 30.3 p -136.61 128.84 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.75 HG23 HG12 ' A' ' 51' ' ' ILE . 38.4 t -99.85 153.43 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 112' ' ' MET . 4.5 mm-40 -141.65 72.43 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 1.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.537 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -137.12 146.18 53.4 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 1.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.662 ' C ' HG22 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.05 -66.5 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 -2.521 . . . . 1.0 111.039 -0.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -166.3 -174.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 1.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.64 43.67 66.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.574 1.171 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.96 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 1.0 109.955 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 178.98 62.65 0.1 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.04 156.28 42.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 1.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.64 ' HD2' ' HB1' ' A' ' 50' ' ' ALA . 33.7 mmt180 -149.71 83.81 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.427 ' CB ' HG22 ' A' ' 35' ' ' THR . 83.6 p -92.79 137.51 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 110.083 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.29 156.99 27.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.46 1.1 . . . . 1.0 111.036 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.736 ' CG2' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -72.64 -17.06 61.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.745 . . . . 1.0 110.416 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.54 13.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 45' ' ' ARG . . . -73.26 -40.12 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 1.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.75 HG12 HG23 ' A' ' 36' ' ' VAL . 16.7 mt -61.28 -40.36 85.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 1.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' THR . 1.4 tmm_? -76.52 -64.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.79 -35.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -77.3 -66.55 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.546 ' CE2' HG23 ' A' ' 51' ' ' ILE . 1.3 m-85 -42.66 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.83 -50.54 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -52.83 -25.05 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -86.8 -50.05 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.447 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -58.74 -16.92 18.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -23.41 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.778 HD12 ' HD2' ' A' ' 62' ' ' PRO . 12.7 tp -91.49 134.15 29.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.778 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 70.99 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 1.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -116.6 166.74 11.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.96 116.43 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 1.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.564 HG22 HG12 ' A' ' 84' ' ' VAL . 92.9 t -101.85 137.53 29.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.001 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -65.36 161.92 18.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.61 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -174.08 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 110.399 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -65.6 -82.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' GLN . 1.5 mt-10 -178.36 175.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 1.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.722 HG22 ' HB3' ' A' ' 80' ' ' PHE . 18.9 t -137.13 99.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.518 ' CZ ' HD11 ' B' ' 98' ' ' ILE . 12.0 mmt85 -77.27 81.0 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 1.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.779 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -89.96 117.53 28.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -177.42 150.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.84 50.26 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 1.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 51.34 21.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.24 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.468 ' O ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -120.05 159.91 23.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.0 110.346 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -148.71 95.65 2.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 109.277 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' B' ' 115' ' ' LEU . . . -102.34 97.95 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.77 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -112.89 163.63 14.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 1.0 111.009 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . . . -127.0 114.94 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 1.021 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 30.7 m-85 -105.8 172.86 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.564 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -124.31 118.59 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.644 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.9 OUTLIER -96.78 130.68 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.517 ' HA ' HG23 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -110.96 124.68 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 1.0 109.988 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -163.41 152.26 14.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 1.0 110.258 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 mttp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.725 HG22 HG23 ' A' ' 121' ' ' ILE . 25.7 m -157.17 144.9 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 1.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.8 OUTLIER -130.29 114.17 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.991 HG22 ' CG1' ' A' ' 121' ' ' ILE . 93.8 t -93.66 166.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -137.97 75.53 41.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.546 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 156.52 42.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.634 HG22 ' NE2' ' A' ' 100' ' ' HIS . 3.4 mt -115.88 121.35 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 4.6 m-20 -100.47 126.62 46.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.634 ' NE2' HG22 ' A' ' 98' ' ' ILE . 44.0 m170 -111.21 94.64 5.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 1.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 112' ' ' MET . 3.3 m-30 -81.57 158.08 24.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -138.26 93.14 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 1.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -67.06 147.92 52.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 1.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.532 HG22 ' CD1' ' A' ' 103' ' ' PHE . 21.3 t -59.54 115.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 63.5 t -121.34 -4.57 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 132.23 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 1.0 109.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.542 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.4 mtm -143.03 132.01 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 1.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -126.88 167.51 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -139.83 164.75 29.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.522 HD23 HG12 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -152.1 102.0 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -115.8 131.03 57.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.727 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -119.39 -173.19 15.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 1.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.609 ' HA ' HD13 ' A' ' 121' ' ' ILE . 12.1 tp10 -101.67 -7.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 1.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.9 16.7 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 0.0 OUTLIER -132.41 42.58 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.372 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.991 ' CG1' HG22 ' A' ' 95' ' ' VAL . 4.9 mp -134.6 142.43 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.43 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -132.64 107.7 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 1.0 109.651 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.14 157.53 21.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.64 173.47 46.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 1.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 109.305 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ttm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.472 0.177 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.92 137.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -95.39 155.46 38.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 1.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -63.0 -45.53 91.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.34 -44.8 74.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.648 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.708 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 16.8 mtm -55.77 -54.71 41.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.427 HG23 HG11 ' B' ' 71' ' ' VAL . 4.2 m -58.37 -45.75 87.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 1.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.4 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.81 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.72 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 5.0 t -62.13 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.85 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.25 -39.83 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.452 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 10.3 t80 -59.88 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 1.0 111.057 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 11' ' ' VAL . 71.3 t -58.32 -60.74 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.28 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.575 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -64.62 -41.15 96.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' B' ' 15' ' ' VAL . 7.9 tp -62.77 -55.34 27.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.66 -24.0 66.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.62 -16.03 56.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.465 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . 66.08 38.69 94.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.555 1.159 . . . . 1.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.78 ' O ' HD12 ' B' ' 26' ' ' ILE . 65.2 m-20 -97.97 82.64 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.802 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.5 OUTLIER -54.17 -55.97 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -59.5 -26.81 65.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -71.04 -70.3 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.78 HD12 ' O ' ' B' ' 22' ' ' ASP . 2.6 mp -47.84 -32.1 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 1.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.802 HG23 ' O ' ' B' ' 23' ' ' LEU . 88.7 t -75.02 -36.6 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -66.77 -69.16 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 31.9 p90 -83.06 -175.88 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -49.26 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.827 ' O ' HG23 ' B' ' 48' ' ' THR . 1.2 p30 -103.16 -10.18 19.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -124.64 14.87 8.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 1.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.903 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -60.51 169.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 1.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.585 HG22 ' CB ' ' B' ' 46' ' ' SER . 77.5 p -121.63 133.75 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 1.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.759 HG23 HG12 ' B' ' 51' ' ' ILE . 27.0 t -106.73 150.54 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 2.0 tm-20 -150.36 74.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 1.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -142.47 147.13 41.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.601 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -59.23 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.995 -2.502 . . . . 1.0 111.002 -0.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.601 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -162.04 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.91 19.45 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p 60.49 -178.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 109.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 70.69 64.94 0.44 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.455 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.1 Cg_endo -75.05 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 1.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' B' ' 35' ' ' THR . 11.3 mtp180 -140.15 161.34 37.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 1.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.585 ' CB ' HG22 ' B' ' 35' ' ' THR . 13.5 p -143.46 143.09 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 1.0 110.05 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 148.34 23.74 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.827 HG23 ' O ' ' B' ' 32' ' ' ASP . 31.0 p -63.9 -14.08 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.754 . . . . 1.0 110.434 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.71 -65.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.75 78.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.903 HD11 ' O ' ' B' ' 34' ' ' ALA . 92.3 mt -56.82 -53.17 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 1.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.739 ' HG3' HD12 ' B' ' 23' ' ' LEU . 39.9 ttp85 -58.52 -46.14 87.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 1.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.33 -35.68 74.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -62.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.676 ' CE2' HG21 ' B' ' 26' ' ' ILE . 5.2 m-85 -52.16 -51.27 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.765 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -56.22 -58.47 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 2.6 m120 -43.32 -39.84 3.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 1.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -45.39 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 1.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.546 ' CD1' ' CD2' ' B' ' 23' ' ' LEU . 0.3 OUTLIER -58.37 -21.09 48.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 1.0 109.373 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -44.78 -26.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' B' ' 59' ' ' LEU . 13.3 tp -102.21 116.78 62.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.765 . . . . 1.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.695 HD13 HG23 ' B' ' 65' ' ' VAL . 0.2 OUTLIER -124.22 -176.39 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -122.97 87.75 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.801 HG22 ' HB ' ' B' ' 84' ' ' VAL . 76.8 t -88.03 138.24 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.627 ' HA ' HG11 ' B' ' 15' ' ' VAL . 10.3 tt0 -171.73 140.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 1.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.503 ' C ' HD12 ' B' ' 67' ' ' LEU . 1.2 pp -69.95 151.11 45.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 1.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.47 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.449 HE22 ' HB1' ' B' ' 96' ' ' ALA . 17.9 mt-30 -143.63 -82.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.414 ' HB3' ' NH1' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -162.17 151.59 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.927 HG22 ' HB2' ' B' ' 80' ' ' PHE . 60.8 t -130.24 103.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.423 ' CG ' ' ND2' ' A' ' 120' ' ' ASN . 1.6 mpt_? -93.51 97.8 10.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.708 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -93.83 115.91 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.548 HG22 ' H ' ' B' ' 75' ' ' ALA . 0.7 OUTLIER -174.75 -175.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 1.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.603 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . 42.01 47.25 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 76' ' ' ASN . 0.4 OUTLIER 43.05 53.94 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.501 ' OE1' ' CD2' ' A' ' 115' ' ' LEU . 1.2 pp20? -179.37 146.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.291 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' B' ' 7' ' ' MET . . . -106.61 128.69 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -128.49 103.87 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.927 ' HB2' HG22 ' B' ' 71' ' ' VAL . 29.5 p90 -125.58 169.61 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.0 134.93 55.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.638 ' CD2' HG13 ' B' ' 65' ' ' VAL . 52.4 p90 -134.06 168.62 18.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 1.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -104.64 163.44 12.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 1.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.801 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.2 OUTLIER -141.2 114.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.461 1.1 . . . . 1.0 109.242 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.92 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.5 OUTLIER -87.58 117.25 26.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.746 ' CE1' HG23 ' B' ' 95' ' ' VAL . 1.4 p90 -154.62 142.72 20.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 110.285 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -79.87 158.94 26.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.233 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.539 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 27.1 m -157.11 151.68 25.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 1.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -135.07 113.11 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.746 HG23 ' CE1' ' B' ' 86' ' ' PHE . 25.6 t -90.77 167.17 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.486 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -141.66 70.25 25.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.571 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.04 164.21 33.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 1.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.892 HG22 ' CE1' ' B' ' 100' ' ' HIS . 4.7 mt -114.81 133.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 1.0 109.355 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' B' ' 79' ' ' ALA . 0.7 OUTLIER -109.01 139.82 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.892 ' CE1' HG22 ' B' ' 98' ' ' ILE . 0.0 OUTLIER -138.92 97.56 3.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 1.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -93.61 129.36 39.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.443 ' HA ' ' CB ' ' B' ' 77' ' ' GLU . 1.8 tpp180 -95.96 127.95 42.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 1.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.757 ' CD2' HG22 ' B' ' 109' ' ' VAL . 20.8 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 1.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.757 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -73.05 124.87 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.595 ' O ' HG12 ' B' ' 110' ' ' VAL . 40.8 t -131.01 6.82 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.62 151.6 13.15 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 1.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.531 ' HE1' ' OH ' ' B' ' 55' ' ' TYR . 1.1 ptt? -170.62 137.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' B' ' 37' ' ' GLU . 21.2 ptt-85 -131.41 -179.1 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 1.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' B' ' 39' ' ' PRO . . . -142.82 171.05 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -147.7 110.92 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 1.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.57 ' CE1' ' CB ' ' B' ' 97' ' ' PRO . 5.0 m-85 -105.62 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 1.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -167.01 174.26 42.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -94.44 -24.38 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.24 11.82 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.213 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -111.66 28.71 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.679 HG12 HG22 ' B' ' 95' ' ' VAL . 3.5 mt -130.33 137.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.419 ' HB2' HG12 ' B' ' 94' ' ' VAL . 4.4 m80 -128.75 105.14 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.582 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.08 169.07 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 173.65 40.19 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 1.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 1.0 109.275 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.677 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -154.84 154.6 29.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 110.364 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -26.12 11.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 1.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 6.1 pt-20 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.677 ' HB2' HG23 ' A' ' 3' ' ' THR . 7.7 t-160 -73.81 -45.77 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 1.0 109.61 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.96 ' HG2' ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -58.29 -58.25 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 1.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 m -59.99 -45.34 93.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 1.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -58.3 -33.82 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.612 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 4.0 t -68.48 -44.18 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.714 HG22 ' CE2' ' A' ' 80' ' ' PHE . 73.1 t -57.02 -43.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -52.54 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 1.0 110.239 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -56.12 -38.14 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.689 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 81.7 t80 -61.33 -64.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.614 HG13 HG12 ' A' ' 65' ' ' VAL . 2.7 t -44.65 -44.4 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 1.0 109.215 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.25 27.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.542 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -59.93 -33.28 71.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.689 HD21 ' CZ ' ' A' ' 14' ' ' TYR . 3.9 mm? -63.26 -47.08 83.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -62.93 -35.09 78.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.21 -6.72 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 58.66 24.93 57.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 1.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.58 103.98 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 1.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.748 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -74.18 -62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 1.0 109.383 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -43.5 -41.37 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -64.94 -62.28 5.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.821 HG21 ' CE2' ' A' ' 55' ' ' TYR . 56.5 mt -51.44 -22.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.622 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 4.2 t -86.36 -30.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -85.4 -7.35 58.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.489 ' CD2' HG13 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -72.72 -68.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 1.013 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 28.7 p90 -75.34 -174.51 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 1.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.618 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -54.0 -171.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 1.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 48' ' ' THR . 17.1 t70 -109.77 -7.44 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -141.67 34.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -73.82 -177.95 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 46' ' ' SER . 2.7 p -129.47 122.08 28.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 1.0 110.345 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.733 HG21 HG23 ' A' ' 51' ' ' ILE . 47.9 t -102.89 143.12 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' CG ' ' HA ' ' A' ' 113' ' ' ARG . 9.5 pt-20 -150.93 101.87 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.503 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -135.73 126.81 17.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -75.04 -74.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.001 -2.499 . . . . 1.0 111.01 0.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.734 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 1.3 t -144.44 142.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.83 26.82 18.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.431 1.082 . . . . 1.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -112.89 79.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.38 85.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 110.318 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 143.9 29.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 1.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -107.69 144.9 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 35' ' ' THR . 89.6 p -131.97 117.37 18.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.18 128.49 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 1.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.599 ' OG1' HG13 ' A' ' 27' ' ' VAL . 2.7 t -47.38 -23.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 1.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.64 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 1.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -58.57 -38.46 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 1.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.013 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 76.6 mt -57.3 -39.53 68.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.645 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -71.58 -69.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 1.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -44.54 -32.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 1.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.4 t80 -71.99 -67.95 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.821 ' CE2' HG21 ' A' ' 26' ' ' ILE . 1.9 m-85 -45.42 -39.89 7.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 1.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.748 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . . . -65.36 -54.27 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -51.33 -28.26 11.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -55.1 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.559 HD12 ' CD2' ' A' ' 23' ' ' LEU . 1.8 mt -53.89 -20.14 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -39.92 -29.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 86' ' ' PHE . 12.6 tp -93.23 136.08 24.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.06 83.7 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 1.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.853 HD22 HG23 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -107.39 -175.0 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.81 109.74 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.614 HG12 HG13 ' A' ' 15' ' ' VAL . 3.0 t -92.83 141.66 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -168.38 143.94 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 1.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.65 179.41 7.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.414 HG22 ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER 178.56 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 1.0 110.412 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.429 ' NE2' ' HB1' ' A' ' 81' ' ' ALA . 4.4 mt-30 -63.36 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -171.66 176.97 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 110.292 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.896 HG22 ' CB ' ' A' ' 80' ' ' PHE . 90.2 t -124.47 139.37 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 1.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.499 ' NH2' ' ND2' ' B' ' 120' ' ' ASN . 0.1 OUTLIER -117.7 85.61 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 110.337 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.532 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -89.72 136.5 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.28 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.06 ' CG1' HG21 ' B' ' 40' ' ' VAL . 0.8 OUTLIER -152.63 -143.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -45.37 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 17.9 m-80 36.05 34.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.643 ' OE1' ' CE1' ' A' ' 100' ' ' HIS . 3.2 mt-10 -125.77 158.48 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 1.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.96 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -154.23 90.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB3' HD22 ' B' ' 115' ' ' LEU . . . -104.5 100.45 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.896 ' CB ' HG22 ' A' ' 71' ' ' VAL . 41.3 p90 -122.48 154.99 37.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -107.79 124.99 50.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.622 1.201 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.584 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 24.4 p90 -123.3 173.84 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 1.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.414 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -114.79 155.4 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 110.386 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.921 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 1.4 p -151.74 109.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -98.69 134.32 41.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.057 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.921 ' CZ ' HG22 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -120.69 167.42 12.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 124' ' ' GLY . 16.5 mttp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 94' ' ' VAL . 2.8 m -127.63 170.68 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 94' ' ' VAL . 1.4 p -148.0 96.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 1.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.018 HG12 ' HD3' ' A' ' 97' ' ' PRO . 41.3 t -88.14 142.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -122.61 70.01 35.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 1.018 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.0 Cg_endo -74.99 170.41 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.72 HD11 ' OE1' ' B' ' 70' ' ' GLU . 4.3 mt -118.27 122.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 1.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB3' ' CE2' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -90.36 125.21 35.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.258 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.643 ' CE1' ' OE1' ' A' ' 77' ' ' GLU . 27.5 t60 -114.6 95.93 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 1.0 109.575 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.677 ' CD1' HG11 ' A' ' 109' ' ' VAL . 7.1 m-85 -90.28 143.62 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.488 ' CG ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -131.02 92.92 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.612 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 2.6 m-85 -67.25 156.17 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 1.0 109.239 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 101' ' ' PHE . 31.4 t -76.4 115.51 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 109.385 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.507 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 62.5 t -115.11 -12.03 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 1.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 102' ' ' ARG . 0.5 OUTLIER -128.01 124.93 38.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.026 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.542 ' HG2' HG13 ' A' ' 36' ' ' VAL . 2.3 ttp -136.51 99.75 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 115' ' ' LEU . 2.6 ttm-85 -118.83 123.26 44.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 1.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -103.56 117.0 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.52 HD13 ' NE2' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -95.87 120.79 36.77 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 97' ' ' PRO . 3.5 m-85 -101.35 -175.2 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.734 ' O ' HD13 ' A' ' 121' ' ' ILE . . . -158.05 -173.14 26.08 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.508 1.13 . . . . 1.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.94 -18.11 13.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 1.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -109.2 14.88 23.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 1.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.605 ' ND2' ' NH2' ' B' ' 72' ' ' ARG . 12.6 m120 -111.56 -12.77 13.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 1.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.821 HG13 HG13 ' A' ' 95' ' ' VAL . 1.9 mp -102.91 135.33 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -133.9 102.93 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.606 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.51 161.41 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . -172.87 -173.24 39.19 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 1.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 1.0 109.265 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.524 0.202 . . . . 1.0 111.049 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -82.48 85.27 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -127.22 155.51 76.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.416 ' HA ' ' HB1' ' B' ' 73' ' ' ALA . 18.1 Cg_endo -75.04 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.771 . . . . 1.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.58 84.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -70.54 -44.12 68.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.571 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.796 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -56.27 -54.83 40.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.806 HG23 HG11 ' B' ' 71' ' ' VAL . 7.4 m -59.05 -49.84 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.28 -37.96 67.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 1.0 109.296 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.733 HG21 ' HZ ' ' B' ' 103' ' ' PHE . 3.4 t -68.16 -35.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 1.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' B' ' 80' ' ' PHE . 6.4 t -65.0 -49.34 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.71 -53.9 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.36 -41.51 76.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.482 ' HH ' ' HH ' ' B' ' 55' ' ' TYR . 21.3 t80 -56.81 -53.9 52.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.062 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' B' ' 66' ' ' GLU . 53.6 t -54.25 -57.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.75 -42.3 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -63.48 -48.65 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.83 -55.25 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.76 -26.33 68.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.43 -11.75 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 65.39 25.19 71.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.546 1.154 . . . . 1.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.63 ' O ' HD12 ' B' ' 26' ' ' ILE . 13.4 t0 -84.53 87.91 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 1.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.553 HD21 ' CB ' ' B' ' 55' ' ' TYR . 2.0 mt -65.61 -59.01 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -51.65 -43.28 62.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -59.73 9.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 1.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.63 HD12 ' O ' ' B' ' 22' ' ' ASP . 9.0 mt -50.74 -39.95 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.646 HG22 ' CG2' ' B' ' 51' ' ' ILE . 41.6 t -65.08 -34.88 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.47 57.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -60.54 -46.04 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 1.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.769 ' HE1' HD13 ' B' ' 51' ' ' ILE . 5.4 p90 -113.09 -175.37 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.796 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -52.42 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.455 ' O ' HG23 ' B' ' 48' ' ' THR . 31.5 m-20 -106.35 -19.95 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 1.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.85 21.3 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -62.4 153.87 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 1.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.703 HG22 ' CB ' ' B' ' 46' ' ' SER . 20.5 p -100.91 124.99 47.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 1.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.665 HG21 HG12 ' B' ' 51' ' ' ILE . 21.4 t -100.56 138.02 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -126.76 63.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.6 ' CG ' ' CZ ' ' B' ' 54' ' ' PHE . 0.9 OUTLIER -115.8 134.33 22.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.772 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -74.93 -57.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.095 0 C-N-CA 121.025 -2.489 . . . . 1.0 110.983 -0.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 1.06 HG21 ' CG1' ' A' ' 74' ' ' VAL . 2.5 t -112.48 -174.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.814 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -53.77 -17.37 6.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.554 1.159 . . . . 1.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -57.97 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 0.718 . . . . 1.0 110.019 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' GLY . 0.2 OUTLIER 83.84 86.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 1.0 110.263 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.808 . . . . 1.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.521 ' CD ' ' HB1' ' B' ' 50' ' ' ALA . 9.4 mtt180 -160.02 175.26 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.703 ' CB ' HG22 ' B' ' 35' ' ' THR . 1.3 p 178.61 150.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 1.0 110.08 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.62 155.84 30.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 32' ' ' ASP . 29.8 p -64.8 -15.97 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 0.812 . . . . 1.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -74.08 -59.78 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.521 ' HB1' ' CD ' ' B' ' 45' ' ' ARG . . . -67.8 -33.61 75.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.769 HD13 ' HE1' ' B' ' 30' ' ' PHE . 20.9 mt -63.64 -65.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 2.6 ttp180 -56.49 -48.04 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 62.8 tt0 -54.49 -35.87 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 110.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.6 ' CZ ' ' CG ' ' B' ' 38' ' ' ASP . 0.2 OUTLIER -74.83 -72.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.846 ' O ' HD12 ' B' ' 59' ' ' LEU . 4.4 m-85 -46.26 -25.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 1.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -77.04 -67.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -50.58 -22.97 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -85.69 -46.84 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 1.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.846 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.6 OUTLIER -60.5 -21.7 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 1.0 109.233 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -19.62 8.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.527 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -99.46 140.11 21.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 55.08 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.925 HD13 ' O ' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -93.89 132.13 38.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 1.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.746 ' N ' HD22 ' B' ' 63' ' ' LEU . . . -108.07 98.8 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.822 HG23 HD21 ' B' ' 63' ' ' LEU . 1.6 t -93.49 146.86 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.575 ' HA ' HG11 ' B' ' 15' ' ' VAL . 4.1 tt0 -167.49 138.19 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 1.0 110.27 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.489 HD22 HG12 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -74.29 140.5 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 1.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.479 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 73.3 p -114.55 -23.26 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.23 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 1.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.72 ' OE1' HD11 ' A' ' 98' ' ' ILE . 2.2 mt-10 60.33 116.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 1.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.806 HG11 HG23 ' B' ' 8' ' ' THR . 42.6 t -155.21 70.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.605 ' NH2' ' ND2' ' A' ' 120' ' ' ASN . 14.0 mmt85 -66.25 92.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.584 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -97.82 79.34 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.444 HG11 HG23 ' A' ' 40' ' ' VAL . 1.5 t -138.78 161.08 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.734 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 48.05 50.15 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 103' ' ' PHE . 2.0 t-20 45.41 43.65 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.414 ' OE1' ' CG ' ' B' ' 102' ' ' ARG . 2.0 tp10 -148.1 126.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.796 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -109.66 96.41 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.701 ' CB ' ' CE1' ' B' ' 100' ' ' HIS . . . -100.69 100.07 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.687 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 26.4 p90 -112.24 161.26 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 1.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.32 116.02 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 1.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' B' ' 96' ' ' ALA . 28.9 p90 -116.2 -168.8 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.159 . . . . 1.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.1 OUTLIER -128.02 160.71 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.563 ' HB ' HD21 ' B' ' 63' ' ' LEU . 0.9 OUTLIER -137.81 113.69 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -94.87 114.55 26.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 1.0 110.059 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.599 ' HE1' HG23 ' B' ' 95' ' ' VAL . 2.1 p90 -153.08 147.41 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.255 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.302 -0.258 . . . . 1.0 110.302 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.586 ' HD3' ' HB2' ' B' ' 125' ' ' ALA . 1.0 OUTLIER -89.03 156.41 18.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 1.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.599 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 33.1 m -156.75 144.78 19.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -127.44 113.94 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 1.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.625 HG13 HG13 ' B' ' 121' ' ' ILE . 13.1 t -93.24 166.71 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.09 67.18 33.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.49 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.28 35.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.5 HG23 ' O ' ' B' ' 80' ' ' PHE . 3.4 mt -111.89 123.56 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.687 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -92.44 119.58 32.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.368 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.701 ' CE1' ' CB ' ' B' ' 79' ' ' ALA . 0.2 OUTLIER -101.93 93.82 5.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 1.0 109.573 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' B' ' 77' ' ' GLU . 9.9 m-30 -84.41 143.04 29.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.155 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' OE1' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -126.18 123.94 39.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 1.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.733 ' HZ ' HG21 ' B' ' 10' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.462 ' O ' HG23 ' B' ' 110' ' ' VAL . 2.5 mttt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.663 HG23 ' CE1' ' B' ' 103' ' ' PHE . 43.9 t -53.55 115.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.796 HG22 ' HB2' ' B' ' 31' ' ' ALA . 53.6 t -134.08 8.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 109.332 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.81 138.24 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.754 ' HE2' ' CG ' ' B' ' 30' ' ' PHE . 1.6 mtt -146.99 151.27 36.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -152.73 169.99 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 1.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -143.87 167.27 22.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -148.13 110.42 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' B' ' 116' ' ' PHE . 3.5 p90 -120.04 123.48 43.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.503 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -103.98 173.34 21.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.472 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.2 OUTLIER -93.08 -10.25 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.786 . . . . 1.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -104.46 11.48 34.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.499 ' ND2' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -115.45 30.71 7.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.625 HG13 HG13 ' B' ' 95' ' ' VAL . 2.1 mt -127.06 140.66 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.407 ' HB2' HG12 ' B' ' 94' ' ' VAL . 0.1 OUTLIER -130.97 100.38 5.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 1.0 109.608 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.52 173.25 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' B' ' 125' ' ' ALA . . . 172.92 177.23 42.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.506 1.129 . . . . 1.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 0.798 . . . . 1.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.457 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -128.39 155.65 78.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.07 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -30.81 6.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.545 1.813 . . . . 1.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -45.86 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 1.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 10' ' ' VAL . 47.7 t60 -69.49 -47.55 63.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 109.644 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.477 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -56.29 -54.6 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 1.0 110.984 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 1.025 HG23 HG11 ' A' ' 71' ' ' VAL . 18.5 m -61.07 -37.36 82.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.42 94.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 103' ' ' PHE . 78.0 t -64.39 -35.07 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.6 t -65.38 -51.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 1.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -60.04 -46.57 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.43 -43.4 98.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 1.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.445 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 39.4 t80 -56.2 -49.61 73.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 1.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.867 HG11 ' H ' ' A' ' 67' ' ' LEU . 97.1 t -58.39 -62.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -42.28 -38.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -68.28 -46.77 69.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.387 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.012 HD23 HG11 ' A' ' 65' ' ' VAL . 9.6 tp -57.98 -57.66 11.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 4.9 t-20 -57.67 -41.18 81.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' ALA . . . -61.0 -18.58 58.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 82.89 7.34 87.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.583 1.177 . . . . 1.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.629 ' O ' HD12 ' A' ' 26' ' ' ILE . 15.0 m-20 -65.96 74.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 1.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.916 HD23 HD13 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -56.89 -60.0 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -50.86 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.55 -42.02 19.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 1.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 22' ' ' ASP . 15.0 mt -66.58 -48.5 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.93 HG21 ' HB2' ' A' ' 52' ' ' ARG . 3.3 t -60.77 -19.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.619 1.199 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.93 -22.39 17.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.387 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.6 tt -54.42 -40.16 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.155 . . . . 1.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 51' ' ' ILE . 1.9 p90 -114.09 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 1.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -44.55 166.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.683 ' O ' HG22 ' A' ' 48' ' ' THR . 3.2 p-10 -94.31 -16.88 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.63 19.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 1.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.719 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -63.75 158.82 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.613 HG22 ' HB2' ' A' ' 46' ' ' SER . 30.6 p -113.57 123.93 51.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 1.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.762 HG21 HG23 ' A' ' 51' ' ' ILE . 23.4 t -102.86 159.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 11.7 tp10 -155.84 73.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -144.32 150.02 46.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 1.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.498 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.96 -63.26 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.981 -2.508 . . . . 1.0 111.008 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.914 HG21 HG11 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -151.78 -175.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.183 . . . . 1.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 12.25 37.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 1.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p 63.2 -178.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 0.763 . . . . 1.0 109.93 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.55 76.23 0.14 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.4 22.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.583 1.833 . . . . 1.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -130.22 119.26 22.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.613 ' HB2' HG22 ' A' ' 35' ' ' THR . 8.5 p -106.45 132.6 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 1.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.92 127.99 5.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 1.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -47.72 -23.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 1.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.89 -50.67 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 45' ' ' ARG . . . -70.13 -36.02 74.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.762 HG23 HG21 ' A' ' 36' ' ' VAL . 61.7 mt -64.12 -66.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.93 ' HB2' HG21 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -51.4 -38.63 54.45 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 1.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.03 -49.82 74.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -62.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.504 ' HD2' HG22 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -45.78 -39.93 8.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 1.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -67.37 -52.52 38.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.34 -25.15 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -76.86 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 1.0 110.032 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.916 HD13 HD23 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -53.82 -19.82 4.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 86' ' ' PHE . 14.4 tp -93.65 139.28 22.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.076 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.523 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.01 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 1.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.842 HD22 HG23 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -84.63 -175.1 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.55 98.35 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.012 HG11 HD23 ' A' ' 18' ' ' LEU . 54.6 t -93.96 140.3 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.503 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 1.1 tt0 -171.84 130.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.867 ' H ' HG11 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -64.24 165.51 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.828 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -139.76 -44.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 110.397 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' NE2' ' OG1' ' A' ' 68' ' ' THR . 0.4 OUTLIER -170.68 -169.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 1.0 110.242 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.615 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 59.85 119.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.025 HG11 HG23 ' A' ' 8' ' ' THR . 58.7 t -157.61 61.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.922 HH21 ' H ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -58.8 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.477 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -95.01 117.65 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.68 153.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.98 50.69 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 1.0 109.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER 50.29 30.03 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.4 mt-10 -129.21 169.5 14.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.55 102.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.704 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -102.32 92.9 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.663 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 38.8 p90 -105.37 158.16 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -113.59 113.84 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 29.2 p90 -113.35 -177.82 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -118.93 164.17 15.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.107 . . . . 1.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.93 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 1.3 p -159.46 106.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 93' ' ' THR . 5.7 t -97.86 136.59 37.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.93 ' CZ ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -124.26 170.3 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.961 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 1.0 110.28 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 85' ' ' SER . 98.1 m -151.71 166.3 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.704 ' O ' HG12 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -142.8 96.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.911 HG12 ' HD3' ' A' ' 97' ' ' PRO . 58.4 t -92.72 146.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -126.44 70.63 70.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.911 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.4 Cg_endo -74.94 163.4 35.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 111.031 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.743 HD12 ' HG3' ' B' ' 72' ' ' ARG . 27.4 mt -113.72 118.83 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.663 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.0 m-20 -94.62 135.87 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.704 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 10.1 t-160 -123.58 108.4 12.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 15.4 m-30 -97.62 157.91 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -148.15 109.05 4.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 110.309 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.957 ' CD1' HG22 ' A' ' 109' ' ' VAL . 5.7 m-30 -93.88 157.0 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 tttp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.957 HG22 ' CD1' ' A' ' 103' ' ' PHE . 12.6 t -75.66 116.64 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 1.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.71 HG13 ' HA ' ' A' ' 34' ' ' ALA . 21.2 t -134.11 9.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.33 113.38 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.74 ' SD ' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -148.76 133.92 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -141.66 178.75 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB2' ' OD2' ' A' ' 99' ' ' ASP . . . -144.69 168.24 20.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 1.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.509 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.3 OUTLIER -150.71 108.62 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 97' ' ' PRO . 1.1 m-85 -69.37 -175.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.54 175.05 21.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -123.06 -3.37 8.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.786 . . . . 1.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -133.18 9.24 4.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.738 ' C ' HD12 ' A' ' 121' ' ' ILE . 1.3 m-20 -113.67 27.01 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 120' ' ' ASN . 2.8 mp -121.61 138.41 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.39 104.37 7.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.0 109.602 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.93 18.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.26 175.44 46.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 1.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 1.0 109.338 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.453 ' HG3' ' CG2' ' B' ' 3' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.538 0.209 . . . . 1.0 110.956 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' B' ' 76' ' ' ASN . 0.6 OUTLIER -79.35 98.48 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 1.0 109.36 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.453 ' CG2' ' HG3' ' B' ' 1' ' ' MET . 9.7 p -128.38 155.74 78.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 1.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.36 9.22 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 1.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.51 -38.89 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -72.33 -48.21 43.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 1.0 109.643 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.0 mtm -57.08 -53.92 52.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.443 1.089 . . . . 1.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -60.47 -44.07 96.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.435 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.79 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.72 HG21 ' HZ ' ' B' ' 103' ' ' PHE . 2.6 t -63.12 -57.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE1' ' B' ' 80' ' ' PHE . 3.3 t -52.88 -36.12 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.59 -54.17 31.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 1.0 110.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -34.77 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.543 ' HH ' ' HE1' ' B' ' 55' ' ' TYR . 9.0 t80 -65.56 -50.39 65.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.403 HG21 HD23 ' B' ' 67' ' ' LEU . 2.9 t -55.5 -46.17 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.03 -64.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 1.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -42.29 -37.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.621 ' HA ' HD11 ' B' ' 26' ' ' ILE . 9.7 tp -60.97 -57.84 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 1.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -60.06 -16.05 28.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 1.0 109.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.86 -29.69 23.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 1.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.412 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 88.28 20.05 50.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.524 ' O ' HD12 ' B' ' 26' ' ' ILE . 47.1 t0 -80.64 90.24 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.882 HD11 ' HA ' ' B' ' 56' ' ' ALA . 1.4 mt -71.91 -60.19 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -47.91 -49.66 29.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.38 -61.29 6.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 1.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.621 HD11 ' HA ' ' B' ' 18' ' ' LEU . 43.7 mt -41.8 -35.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 1.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.978 HG13 HG23 ' B' ' 48' ' ' THR . 1.0 OUTLIER -71.1 -47.64 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -69.45 -6.57 31.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 109.238 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.06 -37.26 82.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.928 ' CE2' HG21 ' B' ' 51' ' ' ILE . 0.8 OUTLIER -117.59 -174.31 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 1.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.649 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -43.9 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.525 ' C ' ' OG1' ' B' ' 48' ' ' THR . 2.6 p30 -80.33 -1.83 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 34' ' ' ALA . 9.0 t0 -129.91 -76.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 1.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' B' ' 110' ' ' VAL . . . 43.86 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.569 HG22 ' CB ' ' B' ' 46' ' ' SER . 64.4 p -149.73 127.97 12.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.775 HG23 HG12 ' B' ' 51' ' ' ILE . 14.0 t -109.93 136.85 44.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.541 ' O ' ' CG ' ' B' ' 37' ' ' GLU . 0.2 OUTLIER -145.25 109.22 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 1.0 110.359 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -161.62 145.82 9.85 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.629 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -74.98 -70.87 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.056 -2.477 . . . . 1.0 110.957 -0.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.629 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -163.61 175.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.177 . . . . 1.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 127.8 -1.4 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 1.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.2 m 86.81 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 1.0 110.09 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 6.3 tp10 -179.55 62.11 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.06 166.07 29.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.485 1.781 . . . . 1.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.5 OUTLIER -131.72 144.37 50.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.569 ' CB ' HG22 ' B' ' 35' ' ' THR . 96.2 p -132.53 140.96 48.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.32 125.94 5.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.388 1.055 . . . . 1.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.978 HG23 HG13 ' B' ' 27' ' ' VAL . 2.7 m -53.36 -19.44 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -53.79 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.01 -25.06 65.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.928 HG21 ' CE2' ' B' ' 30' ' ' PHE . 65.2 mt -71.74 -45.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.871 ' HB2' HG21 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -69.24 -44.61 71.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.03 -46.36 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -61.38 -60.6 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.874 ' O ' HD12 ' B' ' 59' ' ' LEU . 1.6 m-85 -58.03 -22.17 48.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.882 ' HA ' HD11 ' B' ' 23' ' ' LEU . . . -72.03 -68.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 1.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' B' ' 57' ' ' ASN . 0.9 OUTLIER -47.4 -35.22 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.424 ' N ' ' ND2' ' B' ' 57' ' ' ASN . 36.6 t -71.64 -46.38 59.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.874 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.2 OUTLIER -59.2 -23.62 62.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 1.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -44.27 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' B' ' 62' ' ' PRO . 9.6 tp -95.83 140.52 22.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.98 54.95 3.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 1.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.494 ' HG ' HD23 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -57.03 160.87 3.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.898 ' HB3' ' HB2' ' B' ' 85' ' ' SER . . . -132.03 64.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.726 HG13 ' HD2' ' B' ' 82' ' ' PHE . 55.2 t -69.3 139.3 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' B' ' 67' ' ' LEU . 25.6 tp10 -161.74 142.56 10.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.108 . . . . 1.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' B' ' 82' ' ' PHE . 0.2 OUTLIER -76.64 169.72 17.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.463 HG23 ' NE2' ' B' ' 69' ' ' GLN . 0.1 OUTLIER -175.07 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 1.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.463 ' NE2' HG23 ' B' ' 68' ' ' THR . 14.1 mp0 -64.15 -101.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.834 ' CD ' HH21 ' B' ' 72' ' ' ARG . 3.3 pt-20 -169.79 176.8 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.928 HG22 ' CB ' ' B' ' 80' ' ' PHE . 95.8 t -122.84 138.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.834 HH21 ' CD ' ' B' ' 70' ' ' GLU . 0.0 OUTLIER -114.46 84.86 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.52 137.53 32.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 1.0 109.367 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 40' ' ' VAL . 1.5 t -147.48 -148.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.533 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -48.76 97.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' B' ' 2' ' ' ASN . 8.6 m-80 39.17 31.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 0.1 OUTLIER -123.88 156.98 35.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.253 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.51 94.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.48 100.07 9.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.234 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.928 ' CB ' HG22 ' B' ' 71' ' ' VAL . 22.7 p90 -117.49 157.54 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -107.85 119.11 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.726 ' HD2' HG13 ' B' ' 65' ' ' VAL . 7.3 p90 -121.75 162.18 21.29 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.596 1.185 . . . . 1.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.0 OUTLIER -107.72 160.35 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.413 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.712 HG12 ' CE2' ' B' ' 82' ' ' PHE . 0.7 OUTLIER -136.96 115.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.898 ' HB2' ' HB3' ' B' ' 64' ' ' ALA . 0.4 OUTLIER -94.51 114.37 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 109.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.616 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.6 p90 -147.47 147.38 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.453 ' CG ' ' HG3' ' B' ' 92' ' ' LYS . 54.2 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.375 -0.231 . . . . 1.0 110.375 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.453 ' HG3' ' CG ' ' B' ' 87' ' ' GLU . 10.1 mttt -95.78 158.78 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.63 HG23 ' HA ' ' B' ' 123' ' ' ALA . 4.0 m -155.02 146.4 23.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -130.87 116.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.755 HG13 HG13 ' B' ' 121' ' ' ILE . 3.4 t -96.44 162.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.46 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -142.81 63.53 13.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.577 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -74.97 162.8 36.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 1.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.546 HD12 ' HD2' ' A' ' 72' ' ' ARG . 48.4 mt -111.58 118.76 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CG ' ' CZ ' ' B' ' 80' ' ' PHE . 0.0 OUTLIER -97.79 131.6 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -129.34 116.23 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.566 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' B' ' 99' ' ' ASP . 2.4 m-85 -121.43 159.25 26.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 1.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' B' ' 76' ' ' ASN . 1.6 ptt85 -133.74 135.81 44.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 1.0 110.312 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.778 ' CE1' HG22 ' B' ' 109' ' ' VAL . 2.2 m-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 1.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.778 HG22 ' CE1' ' B' ' 103' ' ' PHE . 2.7 t -66.1 117.56 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.68 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 94.8 t -116.28 -15.04 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 1.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' SER . . . . . 0.423 ' CB ' ' HG2' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -129.45 124.55 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.46 ' HG3' HG22 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -144.55 118.42 9.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 111.071 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CB ' ' HG3' ' B' ' 37' ' ' GLU . 4.0 mtm-85 -131.16 162.18 30.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 1.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -125.13 165.04 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.82 107.86 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -125.13 148.81 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.434 ' N ' ' OD1' ' B' ' 120' ' ' ASN . . . -123.84 -173.27 13.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.84 -27.09 44.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 1.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 5.71 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' B' ' 96' ' ' ALA . 3.6 m120 -89.97 -19.07 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 109.248 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.755 HG13 HG13 ' B' ' 95' ' ' VAL . 2.3 mp -96.29 135.21 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -131.8 95.46 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 1.0 109.525 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.63 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -53.36 165.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' GLY . . . . . 0.57 ' O ' ' HB2' ' B' ' 125' ' ' ALA . . . 179.08 173.43 44.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 1.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.736 . . . . 1.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.368 -0.605 . . . . 1.0 109.368 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -129.89 151.76 78.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.423 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -34.89 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 1.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.07 -41.79 79.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.595 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -76.64 -53.02 8.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.607 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.83 ' HG2' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -47.8 -42.2 25.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -73.53 -51.74 15.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 1.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.8 -36.98 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.377 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.771 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 84.2 t -72.31 -52.01 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.649 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 3.9 t -50.76 -35.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -25.39 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 15.7 t80 -74.41 -57.34 4.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 1.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.001 HG21 HD23 ' A' ' 67' ' ' LEU . 2.9 t -49.54 -46.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.27 -63.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -42.55 -37.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HA ' HD11 ' A' ' 26' ' ' ILE . 30.9 tp -63.12 -53.72 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.78 -17.9 51.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.13 -24.42 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 78.07 41.67 17.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 1.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.59 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -94.26 95.44 8.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 1.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.3 mt -70.82 -51.7 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 1.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -46.12 87.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.65 -61.97 6.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.706 HG22 ' HE2' ' A' ' 30' ' ' PHE . 53.8 mt -49.33 -36.01 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 1.0 109.215 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.9 t -69.29 -35.53 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -76.74 -16.91 59.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 29' ' ' LEU . 1.3 mt -64.3 -66.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.706 ' HE2' HG22 ' A' ' 26' ' ' ILE . 29.5 p90 -88.12 -175.47 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -51.13 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -111.64 -13.29 13.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.269 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -115.66 6.54 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 109.261 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -56.54 176.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.585 HG22 ' CB ' ' A' ' 46' ' ' SER . 48.0 p -132.87 123.65 26.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.459 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 HG12 ' A' ' 51' ' ' ILE . 82.5 t -90.59 137.82 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -145.74 63.75 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -131.43 141.63 42.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 1.0 109.408 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.557 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.07 -65.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.953 -2.519 . . . . 1.0 111.025 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.92 HG21 HG11 ' B' ' 74' ' ' VAL . 0.6 OUTLIER -148.4 -176.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.545 ' H ' HG12 ' A' ' 40' ' ' VAL . . . 108.8 5.6 31.11 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.419 1.074 . . . . 1.0 111.066 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 m 63.37 -178.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 1.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.25 65.76 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.3 Cg_endo -74.95 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.787 ' CG ' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -128.29 107.39 9.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.585 ' CB ' HG22 ' A' ' 35' ' ' THR . 6.5 p -90.68 139.61 30.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 1.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 96.38 124.13 4.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 1.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -41.86 -27.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 1.0 110.415 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -65.02 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.787 ' HB1' ' CG ' ' A' ' 45' ' ' ARG . . . -55.92 -36.44 67.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.726 HG12 HG23 ' A' ' 36' ' ' VAL . 78.9 mt -62.84 -44.31 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -59.03 6.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 1.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 45.1 tt0 -49.19 -42.73 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 1.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.55 -62.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 1.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 26' ' ' ILE . 4.7 m-85 -55.7 -18.13 7.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 53' ' ' GLU . . . -76.06 -66.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -51.01 -29.96 13.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 109.287 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -76.98 -51.89 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.961 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.444 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 11.0 mt -56.62 -20.65 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.65 -27.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 1.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.6 tp -101.33 139.96 20.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 1.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.03 56.56 4.31 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 1.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.591 HD22 HG23 ' A' ' 84' ' ' VAL . 15.3 mt -53.13 165.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 1.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.764 ' HB3' ' HB3' ' A' ' 85' ' ' SER . . . -133.4 63.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.769 HG22 ' HB ' ' A' ' 84' ' ' VAL . 96.1 t -76.37 137.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 1.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 41.1 tt0 -156.5 145.97 20.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 1.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.001 HD23 HG21 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -76.87 144.41 39.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER 175.26 68.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 110.426 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.442 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER 178.35 -150.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.1 156.22 17.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 110.36 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.901 HG22 ' HB2' ' A' ' 80' ' ' PHE . 96.3 t -129.18 102.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.708 ' NH2' HD21 ' B' ' 120' ' ' ASN . 0.0 OUTLIER -71.67 79.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 77' ' ' GLU . . . -97.11 111.46 23.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.53 155.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB2' ' N ' ' B' ' 41' ' ' GLY . . . 54.38 50.42 16.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 51.64 26.13 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 5.0 tt0 -121.29 165.96 14.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 1.0 110.382 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.83 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -157.09 90.76 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.828 ' HB1' ' CD2' ' A' ' 100' ' ' HIS . . . -108.0 95.73 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.901 ' HB2' HG22 ' A' ' 71' ' ' VAL . 50.5 p90 -112.16 163.9 13.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . . . -115.25 121.34 42.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.653 ' CD2' HG13 ' A' ' 65' ' ' VAL . 35.8 p90 -125.22 168.62 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.52 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 110.413 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.769 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -146.09 98.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.257 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.764 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 1.3 t -81.06 141.35 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.641 ' CE1' HG23 ' A' ' 95' ' ' VAL . 3.0 p90 -158.93 144.48 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.247 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 10.1 m -130.23 147.49 51.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 1.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -124.9 120.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.719 HG13 HG13 ' A' ' 121' ' ' ILE . 9.1 t -99.5 163.48 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -142.03 66.14 20.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 169.93 21.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 1.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.629 HD12 ' HD2' ' B' ' 72' ' ' ARG . 1.4 mt -115.1 126.4 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.594 ' OD2' ' CE1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -98.57 129.28 45.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 1.0 109.31 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.828 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 43.3 m170 -114.57 116.51 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.663 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . 16.5 m-30 -113.26 139.91 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -119.63 97.74 5.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 1.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.771 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 1.2 m-85 -75.17 117.72 17.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 1.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 1.0 109.341 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.902 ' O ' HG23 ' A' ' 110' ' ' VAL . 5.0 mttt . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.616 HG23 ' CE2' ' A' ' 103' ' ' PHE . 85.8 t -38.33 114.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 109.258 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 108' ' ' LYS . 88.9 t -114.52 -30.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.49 112.16 23.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 1.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' GLU . 1.1 ttp -123.74 115.34 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -143.25 135.83 27.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.293 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -104.41 166.84 10.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.804 HD23 ' CG2' ' B' ' 74' ' ' VAL . 0.5 OUTLIER -147.49 106.42 3.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 1.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -122.18 127.3 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -108.96 173.07 17.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 1.6 tt0 -76.5 -2.48 32.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 0.767 . . . . 1.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.81 27.22 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -139.64 24.83 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.719 HG13 HG13 ' A' ' 95' ' ' VAL . 2.2 mp -128.11 137.14 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.42 ' HB2' HG12 ' A' ' 94' ' ' VAL . 13.3 m-70 -125.94 118.09 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.436 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -89.15 147.68 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 1.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -177.02 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 1.0 109.357 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 t30 49.27 57.07 6.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 1.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.507 ' OG1' ' CG ' ' B' ' 6' ' ' HIS . 3.1 p -118.58 157.31 50.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.5 Cg_endo -74.92 -33.73 4.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 1.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -71.58 -31.43 66.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.35 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' OG1' ' B' ' 3' ' ' THR . 25.4 m170 -75.4 -61.44 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.589 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.902 ' SD ' ' HB1' ' B' ' 73' ' ' ALA . 21.6 ptp -53.44 -39.98 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' B' ' 7' ' ' MET . 76.8 m -69.42 -43.75 72.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -57.64 -34.4 69.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.467 1.104 . . . . 1.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.8 -50.79 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.703 HG22 ' CD2' ' B' ' 101' ' ' PHE . 2.5 t -50.82 -37.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.77 -54.29 16.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.8 -28.25 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.314 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 25.0 t80 -72.49 -59.48 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.32 -46.34 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 1.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -63.76 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 1.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -42.2 -35.39 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.367 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.524 ' HA ' HD11 ' B' ' 26' ' ' ILE . 17.2 tp -64.4 -58.76 5.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -16.84 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.66 -33.24 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.496 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 89.02 29.51 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.066 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.616 ' O ' HD12 ' B' ' 26' ' ' ILE . 33.3 m-20 -92.63 92.71 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 1.0 109.213 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.04 -61.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -50.24 42.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.14 -60.12 9.18 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.449 1.093 . . . . 1.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.616 HD12 ' O ' ' B' ' 22' ' ' ASP . 30.4 mt -43.15 -40.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.56 0.8 . . . . 1.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.566 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 24.4 t -64.97 -46.96 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -66.0 -14.4 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -65.51 -46.46 79.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.1 p90 -113.46 -176.38 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.674 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.93 170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 1.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.817 ' O ' HG23 ' B' ' 48' ' ' THR . 2.5 p30 -97.55 -16.93 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.66 24.9 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.926 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -68.65 158.19 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.607 HG22 ' HB2' ' B' ' 46' ' ' SER . 12.8 p -120.72 121.74 38.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 1.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.81 HG23 HG12 ' B' ' 51' ' ' ILE . 28.7 t -97.96 151.33 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.479 ' CA ' ' OE1' ' B' ' 37' ' ' GLU . 2.6 tp10 -150.15 85.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 1.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.569 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -144.63 145.98 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.644 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -74.95 -62.98 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.644 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -166.36 -175.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.403 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 102.54 3.02 50.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.087 . . . . 1.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.7 m 85.24 114.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 0.801 . . . . 1.0 109.958 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.6 OUTLIER 160.71 70.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 167.79 26.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 1.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' B' ' 54' ' ' PHE . 3.8 ptt180 -147.72 96.68 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.607 ' HB2' HG22 ' B' ' 35' ' ' THR . 8.7 p -90.56 135.82 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.37 144.79 14.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.817 HG23 ' O ' ' B' ' 32' ' ' ASP . 50.4 p -61.79 -13.49 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 1.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -76.16 -48.99 18.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.364 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.4 ' HB1' ' CB ' ' B' ' 45' ' ' ARG . . . -76.11 -33.61 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.926 HD11 ' O ' ' B' ' 34' ' ' ALA . 97.2 mt -67.34 -51.14 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' B' ' 48' ' ' THR . 11.2 ptm180 -71.08 -38.4 72.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 7.0 tt0 -54.76 -55.02 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.651 ' CE1' ' NH2' ' B' ' 45' ' ' ARG . 5.8 t80 -64.56 -56.01 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 1.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.746 ' O ' HD12 ' B' ' 59' ' ' LEU . 1.8 m-85 -50.6 -26.07 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.88 -67.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.19 -27.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 1.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.77 -44.92 12.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.746 HD12 ' O ' ' B' ' 55' ' ' TYR . 1.1 mt -57.31 -21.71 36.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -21.02 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' B' ' 86' ' ' PHE . 12.6 tp -99.92 109.05 54.67 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 1.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.851 HD22 ' CG2' ' B' ' 84' ' ' VAL . 0.2 OUTLIER -129.44 -176.22 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -120.52 88.14 2.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.977 HG22 ' HB ' ' B' ' 84' ' ' VAL . 92.6 t -92.34 137.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -176.96 142.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' B' ' 80' ' ' PHE . 0.2 OUTLIER -59.77 149.1 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.521 HG21 ' CG2' ' B' ' 83' ' ' THR . 14.2 t -160.58 26.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -142.37 -96.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -163.18 172.51 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 1.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.905 HG22 ' CB ' ' B' ' 80' ' ' PHE . 58.2 t -127.01 112.6 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.629 ' HD2' HD12 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -86.86 81.87 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 110.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.902 ' HB1' ' SD ' ' B' ' 7' ' ' MET . . . -81.57 152.72 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.92 HG11 HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -171.01 -162.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -39.78 98.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' B' ' 75' ' ' ALA . 0.7 OUTLIER 36.92 47.35 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 1.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.447 ' O ' ' SD ' ' B' ' 7' ' ' MET . 16.7 mt-10 -142.97 149.96 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 1.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.06 93.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 1.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.98 96.46 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.2 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.905 ' CB ' HG22 ' B' ' 71' ' ' VAL . 35.4 p90 -114.28 161.92 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 1.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -115.56 130.37 56.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.599 ' CE1' ' OD2' ' B' ' 99' ' ' ASP . 48.1 p90 -133.05 169.41 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 1.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.521 ' CG2' HG21 ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.23 170.61 7.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 1.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.977 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.1 OUTLIER -161.68 114.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.355 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.586 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 21.2 t -94.51 110.77 22.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -126.74 149.22 49.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.266 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.299 -0.26 . . . . 1.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 148.96 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.677 HG22 ' CG2' ' B' ' 121' ' ' ILE . 8.4 m -156.55 147.22 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.472 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.554 HG12 ' O ' ' B' ' 94' ' ' VAL . 2.5 t -113.07 93.86 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.813 HG12 ' HD3' ' B' ' 97' ' ' PRO . 79.4 t -81.57 145.98 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 1.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 1.012 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -126.92 72.46 75.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.813 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.3 Cg_endo -74.99 165.45 31.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.821 . . . . 1.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.505 HG12 ' HB2' ' B' ' 81' ' ' ALA . 5.4 mt -116.39 118.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 109.358 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.599 ' OD2' ' CE1' ' B' ' 82' ' ' PHE . 0.6 OUTLIER -92.68 137.62 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -132.4 104.32 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.61 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.703 ' CD2' HG22 ' B' ' 11' ' ' VAL . 13.3 m-30 -109.15 136.63 48.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.546 ' NE ' ' CB ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -120.23 132.44 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' B' ' 108' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.486 ' HA ' ' CE2' ' B' ' 103' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.455 HG22 ' CE1' ' B' ' 103' ' ' PHE . 4.5 t -73.81 124.58 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 1.0 109.218 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.62 HG22 ' CB ' ' B' ' 31' ' ' ALA . 97.9 t -125.38 -44.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.377 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' SER . . . . . 0.546 ' CB ' ' NE ' ' B' ' 102' ' ' ARG . 3.1 m -93.71 117.97 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.624 ' SD ' HG22 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -131.11 124.52 30.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 111.063 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' B' ' 37' ' ' GLU . 1.1 ttm-85 -146.07 144.44 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 1.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.712 ' O ' HD12 ' B' ' 115' ' ' LEU . . . -114.29 177.59 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.712 HD12 ' O ' ' B' ' 114' ' ' ALA . 0.7 OUTLIER -153.17 107.48 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -105.38 -172.89 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.79 ' O ' HD11 ' B' ' 121' ' ' ILE . . . 170.98 -173.38 44.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 1.0 111.059 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 15.2 mt-10 -115.43 53.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 1.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -147.16 23.83 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 1.012 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -163.16 50.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 109.239 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.79 HD11 ' O ' ' B' ' 117' ' ' GLY . 4.0 mp -134.0 136.96 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -124.65 99.49 6.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 1.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.461 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -63.97 171.15 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.04 173.42 35.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.118 . . . . 1.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 11.1 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.609 HG23 ' CB ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -147.13 154.24 46.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.91 -29.16 8.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 4.5 mt-10 -69.46 -45.91 67.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.609 ' CB ' HG23 ' A' ' 3' ' ' THR . 2.8 t-160 -68.59 -48.55 63.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.553 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 71.1 mtm -62.08 -62.24 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 37.2 m -51.76 -41.32 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -58.02 -47.97 81.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.716 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 9.5 t -57.07 -42.43 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.614 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 4.4 t -57.85 -44.26 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 1.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -62.29 -40.57 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -35.3 79.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.4 t80 -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.19 -49.3 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 1.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.543 HD12 HD13 ' A' ' 26' ' ' ILE . 4.2 tp -61.27 -60.71 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -56.95 -23.01 42.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 1.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.56 -34.72 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.692 ' C ' HD11 ' A' ' 59' ' ' LEU . . . 92.05 21.21 33.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 1.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.648 ' O ' HD12 ' A' ' 26' ' ' ILE . 73.2 m-20 -83.1 91.89 7.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 0.722 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -67.34 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -48.03 -43.73 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 1.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.19 -57.79 17.99 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 1.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 22' ' ' ASP . 23.5 mt -51.7 -29.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -76.2 -33.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.59 58.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.146 . . . . 1.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -56.27 -47.19 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.877 ' CE1' HG21 ' A' ' 51' ' ' ILE . 12.8 p90 -106.82 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -51.4 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.954 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -105.14 -17.8 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 29.41 7.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.924 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -77.66 173.92 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.473 HG22 ' CB ' ' A' ' 46' ' ' SER . 7.5 p -120.62 118.79 31.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.733 HG21 HG23 ' A' ' 51' ' ' ILE . 65.0 t -97.52 137.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 5.0 mt-10 -120.65 61.72 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.546 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 2.8 t70 -109.91 136.76 20.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.722 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -75.05 -36.68 2.51 Favored 'Cis proline' 0 C--N 1.361 1.231 0 C-N-CA 120.946 -2.523 . . . . 1.0 111.031 0.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 41' ' ' GLY . 1.9 t -133.85 -173.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.739 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -54.03 -18.64 9.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 1.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -58.22 85.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 1.0 110.081 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLY . 15.8 mm-40 76.86 83.0 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -74.98 -179.06 4.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 1.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.641 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 2.0 mtt180 -144.14 147.15 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.473 ' CB ' HG22 ' A' ' 35' ' ' THR . 85.6 p -137.73 141.82 41.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.76 152.32 25.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.562 1.164 . . . . 1.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.954 HG23 ' O ' ' A' ' 32' ' ' ASP . 2.3 p -63.67 -13.07 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 1.0 110.433 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.72 -65.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.641 ' HB1' ' HD3' ' A' ' 45' ' ' ARG . . . -68.84 -38.3 79.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 1.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 34' ' ' ALA . 74.6 mt -57.61 -60.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HG3' HG21 ' A' ' 27' ' ' VAL . 12.4 ttm180 -58.83 -38.65 79.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.173 . . . . 1.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.05 -49.2 69.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -73.13 -60.29 2.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 1.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.623 ' CE1' ' CG2' ' A' ' 26' ' ' ILE . 1.5 m-85 -48.3 -23.28 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 1.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -84.44 -51.53 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 1.9 m120 -62.17 -14.51 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -55.03 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 ' C ' ' A' ' 21' ' ' GLY . 1.2 tm? -59.92 -16.01 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 1.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -62.16 -17.38 57.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.685 HD23 ' CD2' ' A' ' 63' ' ' LEU . 12.4 tp -90.55 113.08 56.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 92.45 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 1.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.728 HD12 ' H ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -122.97 -175.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.42 93.83 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.757 HG22 ' HB ' ' A' ' 84' ' ' VAL . 24.7 t -89.69 141.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -160.71 143.18 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.0 110.315 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.606 HD21 ' HD1' ' A' ' 80' ' ' PHE . 3.0 mt -70.35 160.57 32.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.555 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.7 OUTLIER 178.15 49.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' A' ' 68' ' ' THR . 4.0 mp0 -161.16 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 1.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 179.63 167.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.273 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.928 HG22 ' CB ' ' A' ' 80' ' ' PHE . 99.9 t -126.64 118.5 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.927 ' CZ ' HD22 ' B' ' 120' ' ' ASN . 0.9 OUTLIER -89.23 81.92 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 77' ' ' GLU . . . -91.17 123.29 34.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.5 ' CG2' HD23 ' B' ' 115' ' ' LEU . 0.4 OUTLIER -142.27 -146.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -42.91 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ALA . 77.2 m-20 35.42 35.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 1.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.956 ' OE1' HD21 ' B' ' 115' ' ' LEU . 6.5 mt-10 -125.63 161.19 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.33 95.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 1.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -110.8 94.53 5.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.928 ' CB ' HG22 ' A' ' 71' ' ' VAL . 43.2 p90 -111.94 161.39 16.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -114.6 121.13 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.608 ' HD2' HG13 ' A' ' 65' ' ' VAL . 33.7 p90 -125.23 169.2 12.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -107.15 159.16 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 1.0 110.374 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.757 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -137.51 110.15 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.578 ' HA ' HG23 ' A' ' 94' ' ' VAL . 2.0 m -92.41 119.24 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 1.2 p90 -140.86 149.35 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 1.0 110.257 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 mtpm? . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.233 -0.655 . . . . 1.0 109.233 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 123' ' ' ALA . 1.9 m -149.84 149.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 110.472 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.578 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -131.11 116.29 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.249 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.889 HG22 HG12 ' A' ' 121' ' ' ILE . 68.1 t -94.11 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.54 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -138.27 71.46 46.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.582 HD12 ' HG3' ' B' ' 72' ' ' ARG . 1.9 mt -116.25 121.42 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.56 125.6 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 18.5 t-160 -122.75 110.6 15.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -110.35 147.36 34.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.497 1.123 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.68 102.59 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 1.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.716 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 3.2 m-85 -69.37 161.73 28.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.303 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.71 HG22 ' CD1' ' A' ' 103' ' ' PHE . 12.9 t -85.83 118.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.557 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 71.3 t -114.8 -10.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 1.0 109.259 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.46 131.21 51.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.3 mtp -145.58 142.46 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 162.98 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.321 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -139.63 170.88 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.92 98.16 3.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 1.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 97' ' ' PRO . 8.7 m-85 -105.32 125.87 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -116.15 172.74 14.37 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.554 1.159 . . . . 1.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -96.15 -19.81 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 1.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -88.23 13.08 12.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 1.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.877 ' CG ' HH21 ' B' ' 72' ' ' ARG . 0.2 OUTLIER -125.1 40.17 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.889 HG12 HG22 ' A' ' 95' ' ' VAL . 8.8 mt -133.15 138.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.428 ' HB2' HG12 ' A' ' 94' ' ' VAL . 11.1 m-70 -124.3 115.0 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.585 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -80.43 160.09 25.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.65 178.63 40.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 1.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.481 ' HA ' ' CD ' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 1.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.659 ' O ' HG22 ' B' ' 3' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.504 0.193 . . . . 1.0 111.047 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -67.6 104.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.729 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -159.11 155.32 23.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 1.0 110.447 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -59.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 1.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -43.03 -35.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 1.0 110.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.729 ' HB2' HG23 ' B' ' 3' ' ' THR . 8.0 t60 -76.13 -53.63 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 109.605 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.908 ' O ' HG23 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -47.8 -43.77 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 1.0 111.097 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -71.05 -52.97 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.6 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.7 -53.21 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.288 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 7' ' ' MET . 96.5 t -46.49 -41.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 109.374 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -52.07 48.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -54.16 -34.34 60.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.4 -58.53 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 t -50.5 -49.98 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.61 -59.44 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.417 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -48.78 -33.35 10.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.742 HD23 ' HB ' ' B' ' 65' ' ' VAL . 7.0 tp -65.77 -54.56 25.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -13.63 58.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.74 4.44 53.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 1.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 23' ' ' LEU . . . 62.07 12.31 36.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.599 1.187 . . . . 1.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.657 ' O ' HD12 ' B' ' 26' ' ' ILE . 10.1 t0 -65.52 75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -64.97 -62.88 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.208 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.62 -52.76 36.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.591 1.182 . . . . 1.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.657 HD12 ' O ' ' B' ' 22' ' ' ASP . 28.6 mt -57.82 -36.64 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 0.716 . . . . 1.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.57 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 10.9 t -69.36 -26.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 1.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.33 -18.9 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -52.39 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.916 ' CE1' HG21 ' B' ' 51' ' ' ILE . 14.9 p90 -102.91 -178.53 3.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.67 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -49.29 176.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.74 ' O ' HG23 ' B' ' 48' ' ' THR . 4.6 m-20 -105.01 -17.02 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' B' ' 33' ' ' ASP . 13.3 p-10 -119.07 23.35 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -68.24 165.38 18.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.643 HG22 ' CB ' ' B' ' 46' ' ' SER . 23.2 p -115.26 140.56 48.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 1.197 . . . . 1.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.931 HG11 ' CE2' ' B' ' 54' ' ' PHE . 2.5 t -124.21 140.44 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.495 ' OE1' ' CA ' ' B' ' 44' ' ' PRO . 7.3 tp10 -128.69 76.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.635 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -138.88 146.8 51.54 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 1.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.635 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -74.97 -73.93 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.049 -2.48 . . . . 1.0 111.04 -0.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -157.06 152.85 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 1.0 109.241 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.602 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 148.39 -54.02 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.602 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.6 m 151.44 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 1.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' B' ' 42' ' ' SER . 7.5 pt-20 42.42 86.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 1.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.495 ' CA ' ' OE1' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -75.02 -167.2 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.772 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.6 OUTLIER -140.72 177.66 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.63 1.206 . . . . 1.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.647 ' O ' ' HB3' ' B' ' 50' ' ' ALA . 81.3 p -179.45 159.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.47 164.96 22.72 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.454 1.096 . . . . 1.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.74 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.8 p -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 1.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.3 -48.71 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 1.179 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' B' ' 46' ' ' SER . . . -60.48 -52.31 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.916 HG21 ' CE1' ' B' ' 30' ' ' PHE . 52.2 mt -59.43 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' B' ' 56' ' ' ALA . 18.4 ttp180 -46.43 -41.76 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 17.9 tp10 -67.02 -40.32 87.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.931 ' CE2' HG11 ' B' ' 36' ' ' VAL . 1.4 t80 -66.0 -62.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.496 ' CE2' ' CG2' ' B' ' 26' ' ' ILE . 24.2 m-85 -56.31 -56.07 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -51.98 -53.64 39.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 23.4 t-20 -55.24 -36.94 66.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -60.87 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -56.66 -21.15 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -44.86 -26.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.698 HD23 HD23 ' B' ' 63' ' ' LEU . 10.9 tp -85.98 139.74 34.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.08 62.64 5.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 1.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.698 HD23 HD23 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -116.37 -175.85 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.03 108.53 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.742 ' HB ' HD23 ' B' ' 18' ' ' LEU . 26.7 t -81.17 143.39 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.06 150.15 33.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.422 ' O ' ' HB ' ' B' ' 68' ' ' THR . 1.3 mt -85.2 149.69 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.515 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.7 t -179.42 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.424 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.7 OUTLIER -155.76 -150.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.453 ' OE1' ' ND2' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 1.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.918 HG22 ' HB2' ' B' ' 80' ' ' PHE . 90.8 t -130.32 103.55 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.877 HH21 ' CG ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -75.44 83.44 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' B' ' 7' ' ' MET . . . -97.57 109.13 21.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 1.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.447 ' CG1' HG21 ' A' ' 40' ' ' VAL . 1.1 p -169.23 162.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.21 50.81 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.63 32.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.923 ' HB3' ' CE1' ' B' ' 101' ' ' PHE . . . -143.71 113.28 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -125.94 97.88 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 1.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.918 ' HB2' HG22 ' B' ' 71' ' ' VAL . 32.0 p90 -115.73 168.03 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.486 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -122.46 126.94 48.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.589 ' CD2' HG13 ' B' ' 65' ' ' VAL . 36.1 p90 -131.15 177.23 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.515 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.3 OUTLIER -113.64 162.81 15.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.7 OUTLIER -138.46 125.21 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 1.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.3 OUTLIER -100.25 115.88 30.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.927 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 1.018 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.3 p90 -137.84 141.08 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.297 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.339 -0.245 . . . . 1.0 110.339 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -126.52 138.29 53.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.611 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 68.3 m -146.97 144.96 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -128.22 116.27 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 1.018 HG23 ' CE1' ' B' ' 86' ' ' PHE . 60.5 t -96.57 165.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.499 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -136.91 71.87 55.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.515 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.98 161.28 39.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 1.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.486 HG12 ' CB ' ' B' ' 81' ' ' ALA . 1.3 mt -115.09 117.59 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' B' ' 79' ' ' ALA . 1.3 m-20 -92.77 134.65 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' B' ' 78' ' ' ALA . 4.1 t-80 -146.79 117.82 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.923 ' CE1' ' HB3' ' B' ' 78' ' ' ALA . 1.3 p90 -140.8 164.68 29.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.84 ' O ' HG13 ' B' ' 109' ' ' VAL . 0.6 OUTLIER -113.53 156.86 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.84 HG13 ' O ' ' B' ' 102' ' ' ARG . 2.6 t -69.93 132.7 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 1.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' B' ' 31' ' ' ALA . 55.4 t -127.87 4.84 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 1.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.4 t -157.22 136.72 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 1.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.851 ' HG3' HG13 ' B' ' 36' ' ' VAL . 6.3 ptp -152.15 154.05 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.585 HH21 HH21 ' B' ' 102' ' ' ARG . 13.2 ttp85 -151.56 152.03 32.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 1.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.514 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -127.41 155.43 43.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 1.0 109.387 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.956 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -139.03 111.97 7.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -96.01 -176.03 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.726 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -156.16 175.5 33.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 1.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -103.53 -33.75 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 1.0 110.342 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -88.68 13.05 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.356 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.927 HD22 ' CZ ' ' A' ' 72' ' ' ARG . 2.0 m120 -113.09 32.38 5.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.726 HD11 ' O ' ' B' ' 117' ' ' GLY . 5.0 mp -131.84 137.38 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.51 103.15 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 109.554 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.89 168.29 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 1.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' B' ' 125' ' ' ALA . . . 170.52 174.61 38.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 1.0 109.347 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.582 HD21 ' N ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.526 HG23 ' CB ' ' A' ' 6' ' ' HIS . 1.2 t -135.45 149.17 68.76 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.0 Cg_endo -75.1 -36.45 2.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 1.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.94 72.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.526 ' CB ' HG23 ' A' ' 3' ' ' THR . 2.4 t-160 -66.68 -47.06 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.396 1.06 . . . . 1.0 109.619 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.408 ' SD ' ' HB2' ' A' ' 78' ' ' ALA . 14.4 mtm -51.59 -50.7 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.446 HG23 ' HB ' ' A' ' 71' ' ' VAL . 8.4 m -61.37 -47.22 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -34.61 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.588 HG21 ' HE2' ' A' ' 103' ' ' PHE . 2.8 t -69.23 -40.73 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 109.359 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.795 HG22 ' HZ ' ' A' ' 101' ' ' PHE . 10.7 t -58.16 -46.8 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -62.72 -62.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 1.0 110.35 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -42.18 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.666 ' CE1' HG23 ' A' ' 26' ' ' ILE . 60.9 t80 -61.71 -56.26 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -46.03 -44.62 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.39 -59.51 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.412 ' C ' HD11 ' A' ' 26' ' ' ILE . . . -50.25 -32.09 15.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' A' ' 26' ' ' ILE . 23.5 tp -68.25 -57.25 6.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 65' ' ' VAL . 2.5 t30 -60.31 -16.58 35.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.94 26.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.94 31.99 41.64 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.452 1.095 . . . . 1.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -94.29 59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 0.83 . . . . 1.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.1 mt -40.03 -32.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -69.61 -64.04 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . -47.72 -43.44 22.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 1.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.766 HG22 ' HE2' ' A' ' 30' ' ' PHE . 46.9 mt -65.1 -40.94 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 1.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.1 t -66.97 -21.61 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 1.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.41 -21.53 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -62.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 1.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.766 ' HE2' HG22 ' A' ' 26' ' ' ILE . 27.7 p90 -91.15 -174.37 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -48.51 176.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 48' ' ' THR . 4.6 m-20 -102.75 -17.51 15.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 1.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -116.06 7.45 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.768 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -45.48 168.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 1.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.781 HG22 ' CB ' ' A' ' 46' ' ' SER . 31.1 p -130.63 125.8 34.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.801 HG23 HG12 ' A' ' 51' ' ' ILE . 46.7 t -103.21 143.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 1.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -135.32 52.86 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 1.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -114.03 139.04 23.16 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.506 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.98 -65.78 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.975 -2.51 . . . . 1.0 111.054 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.113 HG21 HG11 ' B' ' 74' ' ' VAL . 1.4 t -139.52 176.52 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 117.0 83.05 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.107 . . . . 1.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 41' ' ' GLY . 20.2 p -27.36 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.5 mt-10 159.38 71.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.05 147.17 33.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.542 1.812 . . . . 1.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.928 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mmt85 -98.94 120.96 40.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 1.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.781 ' CB ' HG22 ' A' ' 35' ' ' THR . 8.6 p -95.58 150.28 20.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 1.0 109.943 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 153.26 27.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 1.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 32' ' ' ASP . 30.4 p -67.75 -22.97 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 1.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -72.58 -57.89 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.928 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -63.23 -41.23 99.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.801 HG12 HG23 ' A' ' 36' ' ' VAL . 58.7 mt -64.94 -67.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -50.05 -31.49 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.3 mm-40 -62.4 -57.48 11.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 1.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CZ ' ' NE ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -56.63 -56.98 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.624 ' CE2' HG11 ' A' ' 36' ' ' VAL . 10.6 m-85 -58.73 -26.2 63.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 1.0 111.062 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -72.7 -55.14 7.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -52.96 -38.71 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.2 m -69.35 -56.41 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -54.71 -19.86 7.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -40.96 -29.05 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.547 1.154 . . . . 1.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.655 HD21 ' H ' ' A' ' 87' ' ' GLU . 9.6 tp -96.41 135.91 22.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.91 58.55 4.86 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.488 1.783 . . . . 1.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.699 HD22 ' CE1' ' A' ' 86' ' ' PHE . 3.5 pp -80.78 -175.68 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.546 ' N ' HD12 ' A' ' 63' ' ' LEU . . . -147.15 106.44 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 63' ' ' LEU . 42.9 t -84.38 155.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 1.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' LEU . 30.5 tt0 -162.47 160.2 25.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -97.65 154.0 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.495 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER -159.78 -48.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -70.35 -98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 178.57 -178.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.902 HG22 ' CB ' ' A' ' 80' ' ' PHE . 67.1 t -122.27 144.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.427 HH11 ' ND2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -122.86 96.27 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -91.49 136.67 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.529 HG12 ' H ' ' A' ' 75' ' ' ALA . 1.5 t -139.73 -146.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.529 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -48.63 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.269 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' VAL . 66.1 m-80 40.51 29.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.083 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -122.61 159.86 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -150.77 109.01 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 100' ' ' HIS . . . -122.92 111.42 16.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.077 . . . . 1.0 109.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.902 ' CB ' HG22 ' A' ' 71' ' ' VAL . 17.5 p90 -126.0 165.0 19.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -117.36 119.96 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.3 p90 -120.27 169.86 9.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -110.65 154.3 24.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 110.439 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.865 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -135.27 128.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.5 t -108.17 98.0 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.865 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 60.1 m-85 -82.36 159.25 23.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.655 ' H ' HD21 ' A' ' 61' ' ' LEU . 32.7 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 1.0 110.227 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mttm . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.354 -0.609 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 85' ' ' SER . 4.8 m -125.35 153.62 43.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 1.0 110.369 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.619 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.1 t -131.42 105.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 1.0 109.229 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.801 HG22 HG23 ' A' ' 121' ' ' ILE . 46.9 t -104.5 167.02 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.517 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -139.12 71.15 40.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 1.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 156.31 42.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 81' ' ' ALA . 5.3 mt -109.77 116.9 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.41 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -98.82 133.64 42.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.981 ' CE1' HD12 ' A' ' 115' ' ' LEU . 14.8 p-80 -143.66 125.42 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.648 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.795 ' HZ ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -137.52 177.13 8.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 110.992 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.4 120.6 34.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.765 ' CG ' HG22 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -92.83 123.04 35.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 2.9 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 tttm . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.765 HG22 ' CG ' ' A' ' 103' ' ' PHE . 17.2 t -68.78 124.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.768 HG13 ' HA ' ' A' ' 34' ' ' ALA . 48.7 t -118.76 -78.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 1.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.22 130.07 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 1.0 109.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' GLU . 25.3 ttm -150.86 131.75 14.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 100' ' ' HIS . 10.4 ttp-105 -150.78 152.76 34.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 1.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -119.6 170.55 9.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.981 HD12 ' CE1' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -151.39 103.21 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 1.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -116.34 128.32 55.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.06 -173.12 30.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -107.03 16.13 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 1.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.81 28.51 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 96' ' ' ALA . 1.1 m-20 -145.87 36.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 1.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.801 HG23 HG22 ' A' ' 95' ' ' VAL . 6.1 mt -131.06 136.81 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.38 89.54 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.58 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.58 152.34 28.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.47 176.95 46.79 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.562 1.163 . . . . 1.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 1.0 109.277 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' B' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.524 0.202 . . . . 1.0 111.028 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.5 86.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.365 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.433 ' CG2' ' SD ' ' B' ' 1' ' ' MET . 10.9 p -127.47 155.32 76.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.67 6.86 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 1.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.04 -49.13 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -69.15 -45.14 70.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 1.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.926 ' HE2' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -54.62 -52.35 62.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 110.952 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -60.03 -48.29 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 1.0 110.45 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.37 -41.4 51.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.522 HG13 HD21 ' B' ' 29' ' ' LEU . 3.2 t -67.05 -42.01 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 1.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.844 HG22 ' CZ ' ' B' ' 101' ' ' PHE . 3.2 t -56.99 -45.47 83.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.6 -43.38 97.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 1.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -35.86 81.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.505 ' HA ' HD13 ' B' ' 29' ' ' LEU . 46.6 t80 -65.69 -49.6 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.49 -60.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.93 -46.92 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 1.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.454 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -59.35 -42.47 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.588 ' HA ' HD11 ' B' ' 26' ' ' ILE . 21.3 tp -58.98 -57.24 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.37 -21.8 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.3 -24.34 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.507 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 79.43 27.38 55.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.521 1.138 . . . . 1.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.55 ' O ' HD12 ' B' ' 26' ' ' ILE . 3.7 t0 -82.57 96.37 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 0.819 . . . . 1.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.457 HD21 HD12 ' B' ' 59' ' ' LEU . 13.8 mt -71.35 -72.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -48.82 -40.4 29.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.55 -64.19 3.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 55.0 mt -45.66 -40.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.585 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 12.6 t -64.37 -39.78 86.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 1.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.94 -15.9 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.522 HD21 HG13 ' B' ' 10' ' ' VAL . 4.2 tt -63.4 -44.63 94.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.806 ' CE1' HG21 ' B' ' 51' ' ' ILE . 3.3 p90 -114.53 -178.71 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 1.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -47.61 173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.849 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -102.82 -10.07 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -120.68 9.43 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' B' ' 109' ' ' VAL . . . -56.45 162.04 2.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 1.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.831 HG22 ' CB ' ' B' ' 46' ' ' SER . 62.2 p -125.52 129.14 49.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 1.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.779 HG23 HG12 ' B' ' 51' ' ' ILE . 44.6 t -105.06 145.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.465 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 8.6 tt0 -128.64 66.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 6.1 p-10 -144.91 134.65 11.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.482 ' HB2' ' H ' ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.04 -144.56 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.012 -2.495 . . . . 1.0 111.003 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.526 HG12 ' H ' ' B' ' 41' ' ' GLY . 17.3 t -103.44 171.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.526 ' H ' HG12 ' B' ' 40' ' ' VAL . . . 111.07 25.87 4.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 1.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p 69.93 178.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 1.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.2 65.14 0.46 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 1.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.652 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -137.27 146.64 44.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.831 ' CB ' HG22 ' B' ' 35' ' ' THR . 53.7 p -144.24 136.31 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.056 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.7 160.55 23.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 1.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.849 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.6 p -67.83 -34.63 77.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 1.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.67 88.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.652 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -74.21 -63.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.806 HG21 ' CE1' ' B' ' 30' ' ' PHE . 84.1 mt -46.69 -38.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 48' ' ' THR . 9.3 ttt-85 -76.93 -35.43 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.43 -40.98 98.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 0.1 OUTLIER -74.99 -51.43 13.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 110.929 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.682 ' O ' HD12 ' B' ' 59' ' ' LEU . 6.9 m-85 -61.48 -25.11 67.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 1.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -81.34 -69.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -44.88 -29.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 44.2 m -83.77 -41.5 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.682 HD12 ' O ' ' B' ' 55' ' ' TYR . 6.0 mt -60.72 -20.17 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -48.78 -24.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.754 HD23 ' HG ' ' B' ' 63' ' ' LEU . 10.2 tp -106.58 140.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' B' ' 61' ' ' LEU . 17.8 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 1.0 110.955 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.754 ' HG ' HD23 ' B' ' 61' ' ' LEU . 13.4 mt -54.45 151.18 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.189 . . . . 1.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' B' ' 85' ' ' SER . . . -113.48 60.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.685 HG22 ' HB ' ' B' ' 84' ' ' VAL . 72.0 t -75.81 145.33 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 179.38 126.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.465 ' HA ' ' CB ' ' B' ' 82' ' ' PHE . 0.4 OUTLIER -66.37 148.29 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.498 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.4 t -172.43 44.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 1.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -144.01 -95.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 1.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 63.5 mm-40 -151.01 156.41 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 1.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.938 HG22 ' HB2' ' B' ' 80' ' ' PHE . 44.4 t -129.0 99.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.908 HH21 ' N ' ' B' ' 71' ' ' VAL . 5.5 mmp_? -83.67 100.41 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 1.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.926 ' HB1' ' HE2' ' B' ' 7' ' ' MET . . . -100.66 133.75 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 1.113 HG11 HG21 ' A' ' 40' ' ' VAL . 1.3 t -145.67 -149.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.5 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -45.31 91.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.1 OUTLIER 35.79 34.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 75' ' ' ALA . 1.5 mt-10 -133.08 108.39 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.95 121.44 44.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.426 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -130.65 108.04 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.938 ' HB2' HG22 ' B' ' 71' ' ' VAL . 15.0 p90 -125.38 162.36 24.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.556 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -109.88 135.67 50.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 109.37 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.63 ' CD2' HG13 ' B' ' 65' ' ' VAL . 49.0 p90 -137.85 166.09 24.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -103.83 160.72 14.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.43 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.709 HG13 ' HB ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -144.49 100.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 1.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.58 ' O ' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -90.97 125.8 35.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 1.0 109.957 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.649 ' HB3' HD23 ' B' ' 63' ' ' LEU . 3.7 p90 -139.35 145.34 38.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 35.0 tt0 . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 1.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.382 -0.229 . . . . 1.0 110.382 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -132.62 105.14 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 51.7 m -121.69 158.97 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 1.0 110.386 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.54 HG23 ' CB ' ' B' ' 85' ' ' SER . 0.7 OUTLIER -141.06 117.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.746 HG22 HG12 ' B' ' 121' ' ' ILE . 21.4 t -95.06 169.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.514 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -144.22 68.83 15.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.554 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 162.71 36.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.556 HG12 ' HB2' ' B' ' 81' ' ' ALA . 39.8 mt -113.73 117.4 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 140.77 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 1.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.438 ' NE2' ' OE1' ' B' ' 77' ' ' GLU . 4.2 t-80 -151.99 113.22 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.652 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.844 ' CZ ' HG22 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -133.18 158.29 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 1.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' B' ' 76' ' ' ASN . 0.0 OUTLIER -113.72 129.96 56.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 1.017 ' CB ' HG22 ' B' ' 109' ' ' VAL . 3.1 p90 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 111.041 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 1.017 HG22 ' CB ' ' B' ' 103' ' ' PHE . 7.5 t -106.92 125.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 1.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' B' ' 34' ' ' ALA . 59.7 t -115.62 -12.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' B' ' 113' ' ' ARG . 0.5 OUTLIER -137.7 141.05 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.041 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.434 ' HG2' HG13 ' B' ' 36' ' ' VAL . 9.1 ttm -157.38 141.32 16.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' B' ' 37' ' ' GLU . 0.4 OUTLIER -142.6 169.64 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 1.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' B' ' 38' ' ' ASP . . . -146.04 118.04 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.55 103.95 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.591 ' C ' ' CD1' ' B' ' 116' ' ' PHE . 0.0 OUTLIER -111.76 179.32 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -161.87 178.11 37.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 1.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' B' ' 121' ' ' ILE . 19.6 mp0 -97.29 -16.62 20.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -88.99 14.18 11.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.427 ' ND2' HH11 ' A' ' 72' ' ' ARG . 0.6 OUTLIER -124.35 31.71 5.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.746 HG12 HG22 ' B' ' 95' ' ' VAL . 7.7 mt -126.28 137.13 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.223 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.15 104.49 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.65 148.97 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.84 -179.53 45.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.458 1.099 . . . . 1.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.311 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.445 ' ND2' ' OD1' ' A' ' 76' ' ' ASN . 15.9 m120 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -111.04 156.05 41.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 1.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.485 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 18.5 Cg_endo -75.0 -30.49 7.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 1.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.7 -41.78 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 1.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.76 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.7 t-160 -69.59 -48.12 61.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.547 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.64 -53.85 49.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.428 HG23 ' HB ' ' A' ' 71' ' ' VAL . 10.6 m -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -39.15 78.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 6' ' ' HIS . 74.3 t -62.96 -49.39 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.245 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.613 HG22 ' CD2' ' A' ' 101' ' ' PHE . 25.1 t -56.34 -39.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 1.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 1.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -35.49 79.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 2.7 t80 -66.18 -42.23 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.472 1.108 . . . . 1.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -58.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.15 70.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 1.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.2 -55.79 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.0 -32.6 69.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.0 109.358 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.13 -19.64 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 1.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.29 47.33 36.87 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.532 1.145 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 2.9 t0 -98.03 90.56 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 1.0 109.371 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 27' ' ' VAL . 42.2 mt -67.46 -50.15 60.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.96 -57.09 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.41 -50.32 48.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.605 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 75.7 mt -60.48 -35.87 65.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.509 0.77 . . . . 1.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.824 HG21 ' HG2' ' A' ' 52' ' ' ARG . 40.9 t -70.88 -24.4 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -20.56 25.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.507 HD22 HG13 ' A' ' 10' ' ' VAL . 1.8 mt -53.86 -40.79 66.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.391 1.057 . . . . 1.0 109.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.3 p90 -115.77 179.88 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.637 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -48.68 175.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.656 ' O ' HG22 ' A' ' 48' ' ' THR . 1.0 OUTLIER -98.31 -18.42 18.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -115.5 13.32 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -58.71 165.82 2.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.409 1.068 . . . . 1.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.63 HG22 ' HB2' ' A' ' 46' ' ' SER . 82.5 p -120.62 143.38 48.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.549 1.156 . . . . 1.0 110.435 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.726 HG13 ' HG3' ' A' ' 112' ' ' MET . 2.5 t -125.22 140.9 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.361 1.038 . . . . 1.0 109.232 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.63 94.37 2.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.86 ' HB2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -143.24 136.93 14.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.652 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.02 -82.02 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.938 -2.526 . . . . 1.0 110.992 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.497 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -156.81 156.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 1.0 109.325 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 133.6 -44.77 1.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 1.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 155.91 -178.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 1.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 7.4 tt0 66.97 63.35 0.79 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.0 -169.96 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.715 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 4.9 mmp_? -143.24 155.83 44.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 1.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.63 ' HB2' HG22 ' A' ' 35' ' ' THR . 12.0 p -156.17 136.21 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 1.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 102.19 124.4 5.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 1.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -40.66 -28.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 1.0 110.354 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.22 -57.92 8.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 109.368 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.715 ' HB1' ' HD3' ' A' ' 45' ' ' ARG . . . -64.51 -36.92 85.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.946 HG21 ' CE1' ' A' ' 30' ' ' PHE . 36.5 mt -61.89 -36.65 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.824 ' HG2' HG21 ' A' ' 27' ' ' VAL . 13.1 mmm-85 -68.68 -60.24 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 1.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.86 -31.16 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.718 ' CE2' HG11 ' A' ' 36' ' ' VAL . 2.4 t80 -68.79 -68.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.494 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.3 m-85 -53.33 -27.89 25.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -59.8 3.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -53.38 -33.0 51.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -58.74 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 1.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -56.73 -20.86 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -21.78 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.585 HD23 HD23 ' A' ' 63' ' ' LEU . 11.7 tp -90.33 129.67 44.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 1.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.0 93.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 1.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -137.67 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.29 103.22 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 1.0 109.226 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.8 t -86.15 143.84 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 1.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -163.4 135.64 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 1.0 110.363 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.459 HD21 ' HD1' ' A' ' 80' ' ' PHE . 3.8 mt -69.97 175.5 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 178.4 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.388 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -72.72 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 1.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.7 176.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.883 HG22 ' CB ' ' A' ' 80' ' ' PHE . 65.1 t -121.92 137.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.719 HH21 ' HA ' ' B' ' 97' ' ' PRO . 1.4 tpt85 -110.17 86.96 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 1.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -94.09 130.68 40.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 1.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.848 HG11 HG21 ' B' ' 40' ' ' VAL . 1.4 t -146.57 -147.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -49.53 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.445 ' OD1' ' ND2' ' A' ' 2' ' ' ASN . 30.7 m-80 37.62 41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.632 ' OE1' HD21 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -134.07 156.68 47.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.801 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -159.56 89.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.479 1.112 . . . . 1.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 100' ' ' HIS . . . -108.19 105.55 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 1.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.883 ' CB ' HG22 ' A' ' 71' ' ' VAL . 35.8 p90 -117.89 155.82 29.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 1.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.699 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -111.4 124.63 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 1.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 48.5 p90 -127.11 167.24 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.459 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -105.42 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 1.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -152.28 122.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 37.1 t -103.34 121.01 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.787 ' CE1' HG23 ' A' ' 95' ' ' VAL . 3.6 p90 -140.72 146.27 37.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 1.0 110.248 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.595 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 40.9 m -153.75 145.25 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 1.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.9 t -123.7 104.57 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 1.0 109.242 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.787 HG23 ' CE1' ' A' ' 86' ' ' PHE . 92.7 t -93.39 148.62 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 120' ' ' ASN . . . -125.2 72.7 65.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.592 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.02 163.57 35.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.59 1.837 . . . . 1.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.699 HG12 ' HB2' ' A' ' 81' ' ' ALA . 21.7 mt -117.8 120.33 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -92.82 131.47 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.567 ' CD2' HG22 ' A' ' 98' ' ' ILE . 17.2 m-70 -112.1 126.72 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.801 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . 5.7 m-85 -116.88 135.01 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -123.74 108.58 12.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 1.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -83.09 157.2 22.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 109.26 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 7.3 mttm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 103' ' ' PHE . 2.5 t -72.23 121.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 31' ' ' ALA . 49.2 t -120.04 0.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -152.32 139.4 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.054 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.726 ' HG3' HG13 ' A' ' 36' ' ' VAL . 4.6 ptp -153.3 133.16 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 1.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.402 ' NE ' HG13 ' A' ' 40' ' ' VAL . 27.7 ttt180 -132.14 131.66 42.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 1.0 110.249 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.86 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -106.07 123.06 47.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 109.373 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.446 ' HG ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -107.34 134.6 50.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -95.65 -174.73 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 111.039 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.813 ' HA3' HH21 ' B' ' 72' ' ' ARG . . . -145.02 173.72 25.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 1.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -115.54 -34.0 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 1.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.424 ' NZ ' ' H ' ' B' ' 71' ' ' VAL . 18.7 pttm -102.49 15.0 30.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.472 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 53.1 m-80 -113.17 28.17 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 117' ' ' GLY . 2.7 mp -123.09 139.24 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -127.27 96.57 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.17 157.85 16.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.25 -178.42 42.42 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.413 1.07 . . . . 1.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.592 0.819 . . . . 1.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.487 0.184 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.542 ' OD1' ' ND2' ' B' ' 76' ' ' ASN . 0.1 OUTLIER -87.66 91.2 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.373 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.404 HG23 ' CG ' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -141.04 154.17 67.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 110.46 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -25.91 11.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 1.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.5 mt-10 -66.94 -44.83 79.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 1.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.439 ' O ' HG23 ' B' ' 10' ' ' VAL . 1.4 m80 -73.48 -47.1 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 1.0 109.541 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.664 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.1 OUTLIER -57.47 -57.07 14.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 111.006 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.2 m -60.18 -44.06 95.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -58.96 -35.07 72.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 6' ' ' HIS . 2.9 t -66.21 -49.33 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' B' ' 80' ' ' PHE . 7.5 t -53.57 -43.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.66 -54.04 51.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.091 . . . . 1.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -56.51 -37.83 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.714 ' O ' HD23 ' B' ' 18' ' ' LEU . 77.3 t80 -63.79 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.643 HG13 HG12 ' B' ' 65' ' ' VAL . 2.1 t -43.96 -40.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 1.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.98 -60.23 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.683 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -56.04 -28.79 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 1.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.714 HD23 ' O ' ' B' ' 14' ' ' TYR . 4.6 mm? -67.99 -50.29 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -59.44 -32.12 69.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.03 -15.99 32.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.761 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 61.15 42.54 99.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.1 . . . . 1.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.835 ' O ' HD12 ' B' ' 26' ' ' ILE . 4.9 t0 -78.67 119.85 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.904 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.5 OUTLIER -74.57 -75.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.21 -27.93 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -66.96 -67.23 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 1.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.956 HG21 ' CE2' ' B' ' 55' ' ' TYR . 15.7 mt -51.1 -33.03 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 1.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 23' ' ' LEU . 21.7 t -73.98 -31.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -81.94 -13.83 56.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -62.71 -44.72 95.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 2.0 p90 -114.0 -177.09 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.19 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 109.355 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 1.0 ' O ' HG23 ' B' ' 48' ' ' THR . 0.1 OUTLIER -94.26 -16.13 23.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.61 12.44 17.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.17 178.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.708 HG22 ' HB2' ' B' ' 46' ' ' SER . 10.7 p -136.91 133.56 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.798 HG23 HG12 ' B' ' 51' ' ' ILE . 41.8 t -101.92 144.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 6.2 tp10 -144.2 81.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.569 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -150.05 146.45 20.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.569 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -75.1 -68.61 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.987 -2.505 . . . . 1.0 110.987 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.848 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.04 -177.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 1.0 109.221 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.25 5.44 21.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 1.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.99 91.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 0.79 . . . . 1.0 110.072 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 179.93 65.49 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.95 39.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 1.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.631 ' HB2' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -138.5 125.64 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.708 ' HB2' HG22 ' B' ' 35' ' ' THR . 19.8 p -109.74 147.34 33.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.47 141.7 11.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 1.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' THR . . . . . 1.0 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.9 p -59.49 -20.54 56.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.521 0.777 . . . . 1.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.81 -56.14 7.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' B' ' 45' ' ' ARG . . . -63.85 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.798 HG12 HG23 ' B' ' 36' ' ' VAL . 82.1 mt -65.9 -41.61 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 1.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.89 ' O ' HD11 ' B' ' 23' ' ' LEU . 9.1 mtt85 -64.36 -54.12 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 1.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.84 -29.05 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 1.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.645 ' CE2' HG11 ' B' ' 36' ' ' VAL . 48.8 t80 -70.03 -69.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 1.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.956 ' CE2' HG21 ' B' ' 26' ' ' ILE . 32.1 m-85 -58.85 -23.99 61.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.447 1.092 . . . . 1.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.866 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -69.33 -59.15 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' B' ' 54' ' ' PHE . 10.2 p30 -60.86 -36.97 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 1.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.8 t -66.6 -69.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 1.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.761 HD22 ' HA2' ' B' ' 21' ' ' GLY . 17.4 mt -53.26 -20.03 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -39.14 -30.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 1.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.537 HD12 ' HD2' ' B' ' 62' ' ' PRO . 11.0 tp -88.15 139.89 30.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.01 83.88 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.76 . . . . 1.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.59 176.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.91 105.23 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.643 HG12 HG13 ' B' ' 15' ' ' VAL . 4.6 t -79.73 140.68 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -163.66 115.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 1.048 HD12 ' N ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -73.98 146.9 43.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 68' ' ' THR . . . . . 1.048 ' N ' HD12 ' B' ' 67' ' ' LEU . 0.1 OUTLIER -138.54 -43.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -57.56 -104.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.224 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.9 -178.77 6.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 1.0 110.331 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.847 HG13 ' HB3' ' B' ' 80' ' ' PHE . 32.7 t -122.86 127.87 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.813 HH21 ' HA3' ' A' ' 117' ' ' GLY . 1.6 ttm180 -102.25 76.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.843 ' O ' HG23 ' B' ' 74' ' ' VAL . . . -86.94 111.5 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 73' ' ' ALA . 2.9 t -164.81 150.12 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 51.73 63.08 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.248 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.542 ' ND2' ' OD1' ' B' ' 2' ' ' ASN . 0.3 OUTLIER 41.14 28.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' B' ' 100' ' ' HIS . 2.4 tt0 -124.27 164.3 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.664 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -149.36 91.84 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.968 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -103.05 93.2 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.847 ' HB3' HG13 ' B' ' 71' ' ' VAL . 23.9 p90 -111.1 150.61 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.471 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -110.25 125.43 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.616 ' CD1' ' CE2' ' B' ' 80' ' ' PHE . 37.9 p90 -131.26 167.59 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 1.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -106.73 152.69 23.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 110.407 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -126.45 116.12 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 1.0 109.228 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.423 ' HA ' HG23 ' B' ' 94' ' ' VAL . 9.9 t -91.79 118.41 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 1.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.718 ' CE1' HG23 ' B' ' 95' ' ' VAL . 0.9 OUTLIER -161.36 146.14 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 1.0 111.058 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 110.336 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.297 -0.26 . . . . 1.0 110.297 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' B' ' 125' ' ' ALA . 29.5 tttt -75.69 154.19 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.605 HG22 ' CG2' ' B' ' 121' ' ' ILE . 3.0 m -153.44 149.35 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -134.9 116.99 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 1.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.718 HG23 ' CE1' ' B' ' 86' ' ' PHE . 17.6 t -96.14 168.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.492 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -142.41 67.42 20.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.719 ' HA ' HH21 ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.04 162.92 36.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 1.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' B' ' 81' ' ' ALA . 7.0 mt -116.9 116.05 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.572 ' CB ' ' CE1' ' B' ' 80' ' ' PHE . 0.4 OUTLIER -90.54 135.03 33.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.968 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 4.7 t-160 -123.97 103.26 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.553 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.662 ' HB2' ' HB3' ' B' ' 78' ' ' ALA . 17.9 m-85 -91.63 149.39 21.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 1.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -134.21 111.24 10.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.757 ' CD1' HG22 ' B' ' 109' ' ' VAL . 3.5 m-30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.757 HG22 ' CD1' ' B' ' 103' ' ' PHE . 3.4 t -67.8 116.58 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.466 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 70.0 t -114.71 -20.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -126.8 127.32 44.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.082 . . . . 1.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.539 ' SD ' HG22 ' B' ' 36' ' ' VAL . 2.1 ptt? -144.78 130.01 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 1.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -134.51 178.06 7.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 1.0 110.293 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.51 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -139.52 172.52 12.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.632 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -153.6 104.08 2.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -119.43 -178.56 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.508 ' N ' HH12 ' A' ' 72' ' ' ARG . . . -163.89 176.32 39.94 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 3.8 tp10 -91.59 11.59 23.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 1.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -118.35 16.99 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.504 ' CG ' ' CZ ' ' A' ' 72' ' ' ARG . 3.2 m120 -131.46 39.06 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.605 ' CG2' HG22 ' B' ' 93' ' ' THR . 2.5 mt -131.63 149.92 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.431 ' HB2' HG12 ' B' ' 94' ' ' VAL . 3.5 m80 -141.41 111.65 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.662 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.1 164.98 23.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 1.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.36 175.89 43.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 1.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 1.0 109.346 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.59 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -130.0 154.68 81.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.406 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.96 7.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.471 1.774 . . . . 1.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -67.85 -44.31 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.59 ' HB2' HG23 ' A' ' 3' ' ' THR . 14.2 t60 -70.44 -46.14 64.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 1.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.636 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 52.4 mtm -61.17 -61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 HG11 ' A' ' 71' ' ' VAL . 10.1 m -55.06 -40.15 69.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.2 -45.55 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.94 -47.11 92.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.715 HG13 ' CE1' ' A' ' 80' ' ' PHE . 2.9 t -56.24 -47.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -55.6 32.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -52.45 -40.26 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.362 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -66.59 -45.16 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 110.985 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 67' ' ' LEU . 15.7 t -56.34 -51.49 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -61.93 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 1.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -43.01 -39.04 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.72 -57.02 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.8 -16.47 28.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 1.0 109.254 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -27.13 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.265 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . 76.71 45.46 13.0 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.535 ' O ' HD12 ' A' ' 26' ' ' ILE . 78.3 m-20 -92.65 106.2 18.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 0.729 . . . . 1.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.7 mt -77.83 -67.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.34 -35.11 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 1.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -71.16 -68.91 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 1.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.585 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 78.3 mt -42.44 -38.16 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -68.25 -46.73 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -64.37 -15.24 60.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 1.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -54.47 28.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 1.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CE1' HG21 ' A' ' 51' ' ' ILE . 18.3 p90 -105.06 -176.11 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.728 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -49.34 176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.848 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -103.89 -12.99 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 1.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.84 12.62 12.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.823 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -59.05 170.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 46' ' ' SER . 4.8 p -120.87 120.44 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 1.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.741 HG21 HG23 ' A' ' 51' ' ' ILE . 95.0 t -97.02 137.64 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -136.15 63.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -107.52 132.34 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.06 -52.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.02 -2.492 . . . . 1.0 111.005 0.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.984 HG21 HG11 ' B' ' 74' ' ' VAL . 2.5 t -114.51 -173.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.836 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -51.2 -20.12 4.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 23.7 t -53.32 88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 1.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER 81.83 77.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 1.0 110.256 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.0 Cg_endo -75.09 174.29 13.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 1.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.782 ' CD ' ' HB1' ' A' ' 50' ' ' ALA . 4.1 mmt85 -150.58 148.37 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 35' ' ' THR . 33.0 p -142.36 139.77 31.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 109.956 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 153.1 25.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 32' ' ' ASP . 33.3 p -63.72 -11.94 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 1.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.78 -65.16 0.83 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.782 ' HB1' ' CD ' ' A' ' 45' ' ' ARG . . . -69.99 -36.09 74.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.823 HD11 ' O ' ' A' ' 34' ' ' ALA . 92.9 mt -60.37 -52.3 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -65.12 -61.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 14.4 tt0 -46.1 -42.33 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.8 t80 -59.84 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.47 -18.61 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 1.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 53' ' ' GLU . . . -74.7 -67.63 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.224 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -51.96 -33.95 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 1.0 109.396 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.495 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -69.21 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 1.0 110.001 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 61' ' ' LEU . 19.3 mt -54.32 -19.99 6.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.12 . . . . 1.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -40.51 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD21 ' H ' ' A' ' 87' ' ' GLU . 6.1 tp -91.12 127.34 51.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 1.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.5 pp -74.18 -175.71 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.74 103.69 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.28 153.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -169.55 131.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.514 HD12 HG21 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -70.07 154.21 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.534 HG22 ' OG1' ' A' ' 83' ' ' THR . 1.9 t -167.95 29.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 1.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -143.19 -100.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.326 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 2.8 mm-40 -158.88 167.04 30.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.909 HG22 ' HB2' ' A' ' 80' ' ' PHE . 89.1 t -126.93 105.48 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 109.208 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' A' ' 78' ' ' ALA . 15.4 mmt-85 -77.26 151.77 34.94 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.544 1.152 . . . . 1.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.636 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -158.26 124.59 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.708 HG12 ' H ' ' A' ' 75' ' ' ALA . 11.5 t -152.85 -132.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.757 ' CB ' HG12 ' B' ' 40' ' ' VAL . . . -36.79 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.597 ' C ' ' O ' ' A' ' 75' ' ' ALA . 1.4 m-20 22.96 50.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.744 ' CD ' HD21 ' B' ' 115' ' ' LEU . 31.8 tt0 -152.47 159.18 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 72' ' ' ARG . . . -145.19 125.05 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 99' ' ' ASP . . . -126.62 106.37 9.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.909 ' HB2' HG22 ' A' ' 71' ' ' VAL . 24.4 p90 -118.96 156.17 30.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.489 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -113.18 131.97 55.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 1.0 109.396 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 36.5 p90 -139.03 174.61 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.534 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.79 161.25 15.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 1.0 110.374 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.783 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -142.95 125.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 93' ' ' THR . 4.3 t -106.66 104.01 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.01 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 66.7 m-85 -88.11 160.59 17.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.546 ' H ' HD21 ' A' ' 61' ' ' LEU . 43.7 tt0 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 1.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.341 -0.615 . . . . 1.0 109.341 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 85' ' ' SER . 3.8 m -126.44 159.05 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 1.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.606 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -137.07 106.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.666 HG22 HG12 ' A' ' 121' ' ' ILE . 41.7 t -106.07 166.45 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.492 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -138.47 69.98 46.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.534 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 167.09 27.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 1.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.58 HD12 ' HG3' ' B' ' 72' ' ' ARG . 89.3 mt -119.99 115.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.654 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -86.6 142.57 28.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.537 ' C ' ' CD2' ' A' ' 100' ' ' HIS . 0.1 OUTLIER -142.48 112.23 6.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 1.0 109.54 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -105.13 135.07 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.06 111.06 19.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.936 ' CD1' HG22 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.04 141.66 58.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.033 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 110' ' ' VAL . 1.6 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.936 HG22 ' CD1' ' A' ' 103' ' ' PHE . 3.4 t -73.18 121.69 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.728 HG22 ' HB2' ' A' ' 31' ' ' ALA . 46.1 t -121.49 -2.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 1.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.68 128.79 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.584 ' CE ' ' CE2' ' A' ' 30' ' ' PHE . 4.0 ptm -152.0 126.89 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -150.09 167.5 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 110.302 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -125.96 177.91 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.908 HD22 ' HB2' ' B' ' 79' ' ' ALA . 0.8 OUTLIER -154.98 116.2 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.649 ' CE1' HG21 ' B' ' 74' ' ' VAL . 9.5 p90 -124.55 -172.48 2.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 1.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.71 173.95 39.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.555 1.159 . . . . 1.0 111.023 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.4 20.84 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 1.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -126.12 14.88 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -140.91 39.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 95' ' ' VAL . 10.2 mt -135.43 137.17 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -134.15 91.35 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 1.0 109.647 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.37 151.62 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.407 1.067 . . . . 1.0 109.289 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 125' ' ' ALA . . . 177.14 177.87 46.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.445 1.091 . . . . 1.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 1.0 109.235 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.498 0.19 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 63.7 136.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.612 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -163.91 154.72 13.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 110.397 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -30.86 6.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 1.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 8.8 mm-40 -67.99 -46.19 72.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.0 110.344 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.644 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.2 t60 -69.51 -43.21 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.447 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 52.9 mtm -62.82 -62.85 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.727 HG23 ' HB ' ' B' ' 71' ' ' VAL . 7.9 m -54.23 -39.25 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -66.49 -36.2 82.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 6' ' ' HIS . 3.0 t -64.27 -39.67 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.593 ' O ' HG23 ' B' ' 15' ' ' VAL . 18.4 t -67.81 -44.21 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.85 -51.01 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -60.86 -37.31 81.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 110.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.492 ' HA ' HD13 ' B' ' 29' ' ' LEU . 13.0 t80 -65.17 -46.67 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 11' ' ' VAL . 72.0 t -58.03 -60.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.49 45.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 1.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -52.99 -42.03 65.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.51 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.3 tp -56.06 -53.56 55.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -63.47 -21.8 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.278 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.19 56.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 1.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.86 28.79 73.94 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.53 ' O ' HD12 ' B' ' 26' ' ' ILE . 9.6 t0 -86.56 85.86 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 0.73 . . . . 1.0 109.378 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.593 HD21 HD12 ' B' ' 59' ' ' LEU . 20.9 mt -68.92 -47.21 66.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.07 . . . . 1.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.88 -57.46 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 1.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.94 -59.49 10.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 56.9 mt -41.95 -38.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.587 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 4.8 t -67.51 -49.61 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 1.0 109.396 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -63.63 -12.9 37.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.61 ' CD2' HG13 ' B' ' 10' ' ' VAL . 0.3 OUTLIER -63.05 -43.32 98.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 1.067 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.0 OUTLIER -117.06 -177.49 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -49.63 166.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.6 ' O ' HG22 ' B' ' 48' ' ' THR . 2.8 m-20 -87.23 -22.24 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -111.26 4.83 19.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.96 ' HB1' ' HE1' ' B' ' 112' ' ' MET . . . -41.05 150.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.617 HG22 ' HB2' ' B' ' 46' ' ' SER . 18.7 p -116.52 109.56 17.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 1.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.846 HG22 ' SD ' ' B' ' 112' ' ' MET . 46.3 t -91.86 137.16 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -124.36 71.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 1.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.587 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -134.06 142.24 42.55 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.587 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.6 Cg_endo -74.94 -70.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.03 -2.488 . . . . 1.0 111.03 -0.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.757 HG12 ' CB ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -154.3 150.93 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 155.29 -59.01 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.9 m 150.08 -178.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 0.79 . . . . 1.0 110.043 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 49.11 88.99 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 143.99 30.12 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 1.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.604 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 0.1 OUTLIER -79.45 100.56 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.617 ' HB2' HG22 ' B' ' 35' ' ' THR . 7.3 p -96.82 123.83 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.945 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 50' ' ' ALA . . . 119.39 123.77 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.6 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.1 OUTLIER -41.94 -27.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 1.0 110.412 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -68.62 -48.7 63.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -68.64 -39.65 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 1.067 HG21 ' CE1' ' B' ' 30' ' ' PHE . 81.8 mt -59.04 -59.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.424 ' HB2' HG21 ' B' ' 27' ' ' VAL . 3.4 tmm_? -64.11 -28.77 70.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -57.39 -58.18 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.516 ' CD2' ' NH2' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -65.92 -44.46 85.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 1.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.542 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.4 m-85 -58.08 -31.28 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' B' ' 59' ' ' LEU . . . -79.15 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -45.02 -27.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 56' ' ' ALA . 3.1 t -87.8 -38.76 15.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 1.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.593 HD12 HD21 ' B' ' 23' ' ' LEU . 0.3 OUTLIER -61.08 -21.74 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 1.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -23.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.533 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -104.35 140.41 21.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 57.9 4.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 1.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.685 ' CD2' HG23 ' B' ' 84' ' ' VAL . 2.8 mt -53.54 156.5 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -127.53 66.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.72 HG13 ' CD2' ' B' ' 82' ' ' PHE . 72.1 t -76.66 143.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 83' ' ' THR . 7.1 pt-20 -168.23 135.16 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.707 HD23 ' O ' ' B' ' 81' ' ' ALA . 0.6 OUTLIER -67.43 141.35 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.552 HG21 HG23 ' B' ' 83' ' ' THR . 0.9 OUTLIER -131.64 7.84 4.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 1.0 110.376 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.776 ' HG3' ' HB3' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -141.57 -83.5 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 1.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.638 ' CB ' HH21 ' B' ' 72' ' ' ARG . 0.5 OUTLIER 171.2 -173.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 1.0 110.24 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.933 HG22 ' CB ' ' B' ' 80' ' ' PHE . 79.3 t -113.82 140.34 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.638 HH21 ' CB ' ' B' ' 70' ' ' GLU . 3.0 mmt85 -107.39 81.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.235 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.447 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -83.46 153.46 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 40' ' ' VAL . 2.3 p -175.51 -148.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.802 ' N ' HG13 ' B' ' 74' ' ' VAL . . . -38.67 93.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 1.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.6 OUTLIER 31.97 41.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.573 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 1.1 tt0 -135.36 159.49 41.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' B' ' 101' ' ' PHE . . . -150.6 88.57 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.908 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -100.23 93.61 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.933 ' CB ' HG22 ' B' ' 71' ' ' VAL . 43.2 p90 -108.99 156.8 19.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.776 ' HB3' ' HG3' ' B' ' 69' ' ' GLN . . . -118.34 136.89 53.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.72 ' CD2' HG13 ' B' ' 65' ' ' VAL . 45.9 p90 -145.71 168.92 19.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 1.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.552 HG23 HG21 ' B' ' 68' ' ' THR . 0.1 OUTLIER -105.07 163.04 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 110.379 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.685 HG23 ' CD2' ' B' ' 63' ' ' LEU . 0.4 OUTLIER -142.52 101.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.0 109.336 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.452 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -95.21 125.04 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 3.5 p90 -144.72 137.81 26.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 111.034 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 22.7 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.29 -0.263 . . . . 1.0 110.29 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.931 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 23.3 mtmm -127.94 106.2 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.547 HG23 ' HA ' ' B' ' 123' ' ' ALA . 5.2 m -104.79 145.84 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.447 HG13 ' O ' ' B' ' 94' ' ' VAL . 1.7 p -130.74 116.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 1.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.965 HG22 HG23 ' B' ' 121' ' ' ILE . 46.7 t -103.31 167.27 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.515 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -138.68 70.49 44.36 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.548 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.97 162.28 37.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 1.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 7.5 mt -123.84 123.49 67.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.1 OUTLIER -101.56 140.52 35.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -131.58 99.51 4.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.457 1.098 . . . . 1.0 109.59 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.473 ' HB2' ' HB3' ' B' ' 78' ' ' ALA . 12.6 m-85 -88.02 144.91 26.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -126.1 129.55 49.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 1.0 110.328 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.594 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 10.6 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.594 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 18.9 t -77.59 116.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 1.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.509 ' C ' ' CE ' ' B' ' 112' ' ' MET . 59.5 t -127.93 2.2 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.115 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' SER . . . . . 0.515 ' N ' ' CE ' ' B' ' 112' ' ' MET . 0.4 OUTLIER -144.5 116.08 8.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 1.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.96 ' HE1' ' HB1' ' B' ' 34' ' ' ALA . 0.0 OUTLIER -128.03 125.18 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 1.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -124.26 120.7 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.367 1.042 . . . . 1.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -116.73 151.11 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.744 HD21 ' CD ' ' A' ' 77' ' ' GLU . 5.3 mp -134.27 124.82 26.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -143.45 154.34 43.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 1.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.636 ' HA2' HD11 ' B' ' 121' ' ' ILE . . . 90.57 171.96 44.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER 72.29 61.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 119' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER 90.22 -20.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 1.0 109.353 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.502 HD21 ' NE ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -69.27 -14.16 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 1.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.965 HG23 HG22 ' B' ' 95' ' ' VAL . 0.4 OUTLIER -92.9 140.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 1.0 109.202 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 122' ' ' HIS . . . . . 0.405 ' HB2' ' CG1' ' B' ' 94' ' ' VAL . 62.7 m-70 -135.61 88.63 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 109.586 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.547 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -58.67 147.12 33.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' B' ' 92' ' ' LYS . . . -163.31 173.59 39.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 1.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.931 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.663 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -147.99 154.96 43.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.04 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.89 -40.3 96.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.663 ' HB2' HG23 ' A' ' 3' ' ' THR . 4.4 t-160 -72.95 -47.99 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.622 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.751 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.05 -52.37 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 1.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -61.88 -50.61 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 1.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.98 -35.03 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.505 HG13 HD21 ' A' ' 29' ' ' LEU . 3.8 t -65.91 -51.6 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' A' ' 80' ' ' PHE . 2.9 t -49.35 -49.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -43.91 98.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -59.14 -37.95 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.9 -52.44 36.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 1.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.15 -52.14 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 18' ' ' LEU . . . -60.81 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.603 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -42.44 -31.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' ALA . 14.1 tp -68.91 -59.34 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.65 -17.15 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.36 -32.42 24.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.75 32.58 23.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 1.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.675 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.9 m-20 -84.38 94.72 8.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 mt -71.85 -56.9 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -62.43 -41.43 98.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -63.42 -63.51 4.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 22' ' ' ASP . 46.8 mt -47.42 -38.06 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 1.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 23' ' ' LEU . 55.7 t -67.18 -37.91 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -74.05 -17.17 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD21 HG13 ' A' ' 10' ' ' VAL . 6.9 tt -60.47 -46.81 88.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 6.9 p90 -112.49 -176.37 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.664 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -50.54 179.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 1.028 ' O ' HG23 ' A' ' 48' ' ' THR . 4.1 m-20 -104.34 -18.5 14.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.35 32.78 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.664 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -75.73 161.42 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.856 HG22 ' HB3' ' A' ' 46' ' ' SER . 39.2 p -106.24 126.06 51.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 1.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.475 ' CG2' HG12 ' A' ' 51' ' ' ILE . 60.8 t -100.07 137.36 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 15.1 mt-10 -132.7 68.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.484 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -115.38 137.58 23.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.01 -44.39 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.014 -2.494 . . . . 1.0 110.941 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.094 ' CG2' HG11 ' B' ' 74' ' ' VAL . 2.4 t -117.44 -174.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 1.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.792 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -51.26 -20.63 5.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.138 . . . . 1.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -41.23 109.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 1.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 41.53 83.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 110.306 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -176.47 2.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 1.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -162.24 -178.52 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 1.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.856 ' HB3' HG22 ' A' ' 35' ' ' THR . 47.7 p -173.21 159.01 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 100.06 122.45 4.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.028 HG23 ' O ' ' A' ' 32' ' ' ASP . 28.7 p -41.7 -27.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 1.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -59.76 -62.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -63.32 -49.19 74.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 1.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.557 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 6.1 mt -49.61 -36.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -71.52 -71.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.85 -31.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.51 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 4.1 m-85 -70.82 -62.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.791 ' O ' HD12 ' A' ' 59' ' ' LEU . 9.4 m-85 -60.99 -14.23 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.63 -67.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' PHE . 6.8 p-10 -56.71 -21.53 28.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.0 m -82.63 -47.56 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 55' ' ' TYR . 9.1 mt -63.11 -22.25 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.37 -21.35 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.13 139.92 21.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.534 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 55.34 3.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 1.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.892 HD21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -81.08 138.56 35.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.853 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -118.29 99.13 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.892 HG23 HD21 ' A' ' 63' ' ' LEU . 3.7 t -98.1 141.01 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -163.65 134.01 4.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 1.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' A' ' 82' ' ' PHE . 1.6 pp -71.07 141.65 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.486 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.7 t -164.01 42.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.544 HE22 ' HB1' ' A' ' 96' ' ' ALA . 2.5 mt-30 -143.25 -59.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.823 ' HB3' HH21 ' A' ' 72' ' ' ARG . 0.7 OUTLIER 161.61 160.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.285 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.919 HG22 ' HB2' ' A' ' 80' ' ' PHE . 61.9 t -129.82 116.67 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.823 HH21 ' HB3' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -103.25 107.15 17.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.751 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -100.43 126.56 46.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.51 HG22 ' CA ' ' B' ' 117' ' ' GLY . 0.9 OUTLIER -128.19 -146.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -49.59 97.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 39.51 30.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.538 ' OE1' HD21 ' B' ' 115' ' ' LEU . 6.6 mt-10 -123.88 157.76 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -152.32 101.14 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 99' ' ' ASP . . . -111.65 105.68 14.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.919 ' HB2' HG22 ' A' ' 71' ' ' VAL . 38.4 p90 -121.07 161.75 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB3' ' CB ' ' A' ' 69' ' ' GLN . . . -114.53 130.79 56.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.675 ' CD2' HG13 ' A' ' 65' ' ' VAL . 51.2 p90 -136.7 167.78 20.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.486 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -102.6 158.77 16.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.413 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.683 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -140.3 105.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 t -97.18 132.74 42.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.952 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 7.5 p90 -156.84 147.7 21.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.283 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.736 ' NZ ' ' HB2' ' A' ' 125' ' ' ALA . 4.4 ptpp? . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.569 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 26.1 m -125.49 144.79 50.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -128.88 114.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.749 HG22 HG23 ' A' ' 121' ' ' ILE . 15.5 t -95.94 168.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.544 ' HB1' HE22 ' A' ' 69' ' ' GLN . . . -142.54 66.66 18.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.575 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.95 169.7 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.435 HG21 ' CZ ' ' B' ' 72' ' ' ARG . 4.2 mt -121.78 118.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 1.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -91.1 148.37 22.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.533 ' HE2' ' CD ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -140.56 118.71 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -107.57 140.01 41.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -126.05 100.07 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.705 ' CE1' HG23 ' A' ' 109' ' ' VAL . 2.8 m-85 -72.52 146.02 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.7 m120 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.705 HG23 ' CE1' ' A' ' 103' ' ' PHE . 19.7 t -65.92 120.62 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 31' ' ' ALA . 66.4 t -127.82 4.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.81 130.06 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 1.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.424 ' SD ' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -145.48 143.0 29.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 110.965 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.477 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 43.9 ttp180 -148.88 147.08 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -116.02 178.76 4.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.879 HD21 ' OE2' ' B' ' 77' ' ' GLU . 1.0 OUTLIER -151.05 113.39 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 3.8 p90 -124.16 124.09 41.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.432 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -94.84 -175.65 38.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 1.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.04 2.27 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 1.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HE2' ' CG ' ' B' ' 70' ' ' GLU . 0.0 OUTLIER -116.49 12.39 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -114.62 26.06 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.749 HG23 HG22 ' A' ' 95' ' ' VAL . 1.7 mp -123.5 137.94 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -129.82 99.79 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.85 156.54 20.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 125' ' ' ALA . . . -170.38 172.75 44.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.736 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.48 0.181 . . . . 1.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 m120 55.98 177.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -104.52 155.47 37.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 1.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.17 8.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.449 1.763 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -44.7 68.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.748 ' O ' HG23 ' B' ' 10' ' ' VAL . 85.0 t60 -69.51 -46.01 67.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 1.0 109.599 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.802 ' HE2' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -60.04 -59.54 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.963 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.572 HG23 ' HB ' ' B' ' 71' ' ' VAL . 23.7 m -54.69 -42.33 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 6' ' ' HIS . 24.8 t -58.69 -42.32 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.668 HG11 ' CD1' ' B' ' 80' ' ' PHE . 7.0 t -64.27 -45.84 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -41.14 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.45 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 5.3 t80 -58.24 -53.38 58.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.14 -56.15 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.99 -44.56 15.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.11 92.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.879 HD12 HD11 ' B' ' 59' ' ' LEU . 27.0 tp -57.15 -47.55 80.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -62.78 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.06 -14.02 62.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 1.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 77.37 21.56 72.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.628 ' O ' HD12 ' B' ' 26' ' ' ILE . 1.9 m-20 -68.86 73.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.729 ' CD1' ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -59.08 -46.9 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 1.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.47 -63.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.89 -35.18 4.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.628 HD12 ' O ' ' B' ' 22' ' ' ASP . 38.1 mt -72.4 -43.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.562 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 25.1 t -68.43 -15.41 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.83 -24.48 14.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -51.48 -53.4 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 24.0 p90 -100.05 -174.0 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 1.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -50.77 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.797 ' O ' HG23 ' B' ' 48' ' ' THR . 1.5 m-20 -109.7 -11.79 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -122.52 15.35 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.07 167.39 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.559 HG22 ' CB ' ' B' ' 46' ' ' SER . 73.2 p -122.94 129.57 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.737 HG23 ' CD1' ' B' ' 51' ' ' ILE . 38.7 t -105.04 148.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 2.6 mt-10 -132.98 61.97 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.49 ' CB ' ' HB3' ' B' ' 114' ' ' ALA . 38.1 t0 -141.15 129.58 12.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.0 -143.7 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.973 -2.511 . . . . 1.0 111.006 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' B' ' 114' ' ' ALA . 6.6 t -116.34 150.87 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 176.96 -66.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 1.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.66 54.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 1.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.83 86.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.2 OUTLIER -138.44 154.34 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 110.254 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.559 ' CB ' HG22 ' B' ' 35' ' ' THR . 60.2 p -143.5 132.76 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.83 147.68 16.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.797 HG23 ' O ' ' B' ' 32' ' ' ASP . 30.2 p -62.69 -12.91 26.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 1.0 110.421 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.0 62.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.737 ' CD1' HG23 ' B' ' 36' ' ' VAL . 4.1 mt -52.64 -52.32 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.532 ' HG3' HD12 ' B' ' 23' ' ' LEU . 50.3 ttm-85 -66.09 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 26.6 mt-10 -41.52 -30.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -75.33 -66.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -47.15 -45.82 22.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.729 ' HB2' ' CD1' ' B' ' 23' ' ' LEU . . . -65.93 -50.57 63.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 10.2 t30 -50.95 -27.54 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -55.62 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.879 HD11 HD12 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -53.66 -19.75 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -39.58 -29.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.548 HD23 ' HD2' ' B' ' 86' ' ' PHE . 15.7 tp -94.24 136.99 22.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.1 Cg_endo -75.04 55.69 4.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 1.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.906 HD23 ' CE2' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.51 -175.82 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 1.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.67 103.45 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 1.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 1.002 ' CG2' HG12 ' B' ' 84' ' ' VAL . 61.9 t -91.3 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.431 ' OE2' ' N ' ' B' ' 67' ' ' LEU . 12.1 tp10 -161.88 136.74 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' ' OE2' ' B' ' 66' ' ' GLU . 11.8 mt -71.22 159.58 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' B' ' 68' ' ' THR . 1.3 t 179.68 35.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 110.43 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.506 ' CB ' ' HB3' ' B' ' 81' ' ' ALA . 0.3 OUTLIER -144.49 -92.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.457 ' CG ' ' HE2' ' A' ' 119' ' ' LYS . 2.8 tm-20 -172.65 169.12 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' VAL . . . . . 0.939 HG22 ' CB ' ' B' ' 80' ' ' PHE . 60.8 t -135.42 93.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.759 ' NE ' ' HB3' ' B' ' 79' ' ' ALA . 1.5 ptp180 -76.23 153.62 35.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.802 ' HB1' ' HE2' ' B' ' 7' ' ' MET . . . -148.87 135.19 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 1.094 HG11 ' CG2' ' A' ' 40' ' ' VAL . 1.8 t -152.64 -139.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.602 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -35.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ASN . . . . . 0.602 ' C ' ' O ' ' B' ' 75' ' ' ALA . 4.5 t-20 23.96 52.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.879 ' OE2' HD21 ' A' ' 115' ' ' LEU . 6.6 pt-20 -152.32 154.63 36.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' B' ' 72' ' ' ARG . . . -145.3 131.51 19.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.759 ' HB3' ' NE ' ' B' ' 72' ' ' ARG . . . -131.38 120.85 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.939 ' CB ' HG22 ' B' ' 71' ' ' VAL . 28.0 p90 -127.59 158.97 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' B' ' 69' ' ' GLN . . . -117.48 128.78 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.426 ' HD2' HG13 ' B' ' 65' ' ' VAL . 35.4 p90 -135.15 173.47 11.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.493 ' O ' HG13 ' B' ' 65' ' ' VAL . 0.0 OUTLIER -110.23 158.9 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 1.002 HG12 ' CG2' ' B' ' 65' ' ' VAL . 2.2 m -143.61 113.84 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 15.0 m -98.07 123.8 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.906 ' CE2' HD23 ' B' ' 63' ' ' LEU . 21.5 m-85 -118.03 168.88 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.477 ' O ' HD11 ' B' ' 61' ' ' LEU . 24.7 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 1.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.288 -0.264 . . . . 1.0 110.288 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' B' ' 86' ' ' PHE . 6.5 tttt -156.15 146.36 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' B' ' 85' ' ' SER . 43.9 m -138.29 163.64 31.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 1.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.763 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.9 t -145.34 85.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.932 HG12 ' HD3' ' B' ' 97' ' ' PRO . 39.7 t -87.17 144.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -123.38 71.6 46.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' PRO . . . . . 0.932 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.4 Cg_endo -75.02 164.2 33.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' B' ' 81' ' ' ALA . 4.8 mt -123.3 114.17 40.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.617 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -81.92 150.77 27.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 1.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -149.27 95.19 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.636 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' B' ' 112' ' ' MET . 7.4 m-30 -91.22 153.68 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.461 ' CZ ' ' HD2' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -126.24 112.98 16.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.699 ' CD2' HG22 ' B' ' 109' ' ' VAL . 6.0 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.699 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -71.29 118.41 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.573 ' O ' HG12 ' B' ' 110' ' ' VAL . 38.9 t -128.32 5.41 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.2 p -162.11 150.86 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.56 ' HB2' ' CD1' ' B' ' 101' ' ' PHE . 3.3 ptp -170.04 146.69 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 1.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.469 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.8 OUTLIER -129.3 166.74 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 110.255 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 114' ' ' ALA . . . . . 0.491 ' O ' ' CG2' ' B' ' 40' ' ' VAL . . . -132.14 104.23 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.538 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -79.45 92.72 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' B' ' 116' ' ' PHE . 0.5 OUTLIER -112.75 79.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.51 ' CA ' HG22 ' A' ' 74' ' ' VAL . . . -68.12 -173.97 7.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.484 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -114.94 58.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 1.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 119' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' B' ' 120' ' ' ASN . 3.3 ttmm -157.24 33.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.632 ' H ' HD12 ' B' ' 121' ' ' ILE . 4.0 m-80 -158.91 29.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.866 HG23 HG22 ' B' ' 95' ' ' VAL . 4.2 mp -109.96 137.09 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.58 91.17 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.26 152.21 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.78 179.61 48.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.46 1.1 . . . . 1.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 1.0 109.298 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.541 0.21 . . . . 1.0 111.066 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.629 HD21 ' CG ' ' A' ' 7' ' ' MET . 0.8 OUTLIER 62.44 130.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 1.0 109.366 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.0 p -100.01 155.07 36.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 1.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -27.42 10.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 9.8 pt-20 -68.52 -46.08 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 110.356 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -70.27 -48.99 54.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.744 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 65.3 mtm -60.4 -60.29 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 36.7 m -54.19 -42.73 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 1.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.62 -41.07 80.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.58 HG13 HD21 ' A' ' 29' ' ' LEU . 2.8 t -62.46 -46.72 95.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.498 HG22 ' CE1' ' A' ' 80' ' ' PHE . 3.4 t -57.85 -40.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.8 -58.82 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 1.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -53.01 -34.66 57.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.26 -47.03 71.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.14 -50.14 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 1.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.73 29.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -40.1 57.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.648 ' HA ' HD11 ' A' ' 26' ' ' ILE . 12.0 tp -58.23 -55.23 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -60.79 -21.9 63.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.21 36.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.32 19.31 66.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.13 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.657 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -77.79 94.16 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 1.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -75.62 -50.83 14.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 1.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.73 -55.71 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -57.31 20.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 22' ' ' ASP . 48.3 mt -46.24 -39.14 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.433 0.725 . . . . 1.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.835 HG13 HG22 ' A' ' 48' ' ' THR . 3.4 t -65.86 -44.25 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 1.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -16.86 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.58 HD21 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -57.8 -43.03 85.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.958 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.2 p90 -116.5 -176.09 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -50.18 178.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.597 ' HA ' HG23 ' A' ' 48' ' ' THR . 2.1 p-10 -105.01 -17.85 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -117.91 25.43 10.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -74.7 170.06 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.817 HG22 ' CB ' ' A' ' 46' ' ' SER . 41.6 p -125.46 125.88 44.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 110.405 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.811 HG23 HG12 ' A' ' 51' ' ' ILE . 24.0 t -107.85 148.01 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.76 102.57 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.603 ' O ' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -143.0 121.83 7.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.545 ' HB2' ' CD1' ' A' ' 116' ' ' PHE . 18.2 Cg_endo -74.98 -84.3 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.978 -2.509 . . . . 1.0 110.999 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.699 HG12 ' HB2' ' B' ' 75' ' ' ALA . 0.6 OUTLIER -142.9 145.12 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.53 25.56 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.473 ' CB ' ' HD2' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -112.61 49.88 0.9 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.533 0.784 . . . . 1.0 110.005 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 59.33 95.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 143.9 29.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 1.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.625 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -101.73 160.1 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.384 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.817 ' CB ' HG22 ' A' ' 35' ' ' THR . 87.7 p -147.9 136.31 21.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 110.03 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . 96.17 134.39 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 1.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.835 HG22 HG13 ' A' ' 27' ' ' VAL . 8.6 p -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 1.0 110.414 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -66.83 -55.33 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 109.368 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -67.62 -54.48 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.958 HG21 ' CE1' ' A' ' 30' ' ' PHE . 98.8 mt -44.84 -45.4 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 1.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -68.42 -41.18 80.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.22 -48.38 73.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 38' ' ' ASP . 0.1 OUTLIER -69.09 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.7 ' O ' HD12 ' A' ' 59' ' ' LEU . 5.8 m-85 -42.91 -30.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -75.47 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 1.0 109.219 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -54.3 -20.33 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 1.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -59.42 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.3 mt -56.51 -19.01 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -45.19 -26.63 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.609 HD12 ' HD2' ' A' ' 62' ' ' PRO . 12.2 tp -99.57 133.51 21.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.07 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -131.38 167.42 19.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.09 113.01 10.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 1.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' A' ' 82' ' ' PHE . 13.5 t -86.35 149.06 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' OG1' ' A' ' 83' ' ' THR . 8.2 pt-20 -157.59 143.08 17.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 1.0 110.247 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 67' ' ' LEU . 17.1 mt -73.32 139.22 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.626 HG21 HG23 ' A' ' 83' ' ' THR . 3.5 t -141.16 14.15 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.697 ' HG3' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -148.16 -88.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 110.29 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' OE2' ' CD ' ' B' ' 119' ' ' LYS . 0.0 OUTLIER 173.46 -174.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.362 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.917 HG22 ' CB ' ' A' ' 80' ' ' PHE . 73.9 t -115.43 148.19 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.967 ' HD2' HD12 ' B' ' 98' ' ' ILE . 0.1 OUTLIER -112.99 79.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.744 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -88.64 133.04 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.852 HG11 HG21 ' B' ' 40' ' ' VAL . 1.5 t -148.62 -147.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 1.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.534 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -50.46 100.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' ALA . 1.5 t-20 37.54 34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 75' ' ' ALA . 13.7 mt-10 -127.77 154.24 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.382 1.052 . . . . 1.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.08 88.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 72' ' ' ARG . . . -108.22 100.55 9.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.917 ' CB ' HG22 ' A' ' 71' ' ' VAL . 53.3 p90 -112.38 162.97 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.697 ' HB3' ' HG3' ' A' ' 69' ' ' GLN . . . -120.08 129.39 54.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CD1' HG13 ' A' ' 65' ' ' VAL . 47.8 p90 -136.11 162.74 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.626 HG23 HG21 ' A' ' 68' ' ' THR . 0.1 OUTLIER -102.63 156.11 17.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 1.0 110.395 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -130.93 116.95 35.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 1.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.66 120.58 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 1.0 110.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.748 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.5 p90 -153.22 138.54 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 1.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -133.88 132.33 40.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 2.5 p90 -146.5 147.82 31.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 1.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 54.4 50.17 16.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 1.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.93 26.67 19.3 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 1.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -128.93 113.32 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 1.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.486 ' C ' ' HG1' ' A' ' 93' ' ' THR . 0.0 OUTLIER -85.81 149.02 25.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.58 1.175 . . . . 1.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.602 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 88.3 m -156.15 145.24 20.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 110.412 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -132.48 117.79 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.748 HG23 ' CE1' ' A' ' 86' ' ' PHE . 4.9 t -98.04 165.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.633 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -143.42 64.67 14.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 96' ' ' ALA . 18.1 Cg_endo -75.07 163.06 35.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 1.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.611 HD12 ' HG3' ' B' ' 72' ' ' ARG . 5.5 mt -115.86 119.07 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -88.3 123.03 32.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 1.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.21 105.78 13.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 109.574 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -111.44 133.28 53.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.479 ' HG3' ' CB ' ' A' ' 111' ' ' SER . 4.7 ptm180 -115.15 117.28 30.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CE2' HG22 ' A' ' 109' ' ' VAL . 6.5 m-85 -89.13 147.23 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.621 HD21 HG21 ' A' ' 110' ' ' VAL . 39.9 p-10 -135.28 175.14 9.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.75 -56.24 1.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.459 1.1 . . . . 1.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -174.88 -39.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 1.0 109.301 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.43 37.41 0.15 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 1.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.36 115.29 24.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 1.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.552 HG22 ' CE2' ' A' ' 103' ' ' PHE . 2.2 t -74.52 120.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 1.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 104' ' ' ASN . 77.7 t -117.76 -5.82 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -142.06 131.96 24.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.039 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.626 ' SD ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -143.0 117.35 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 110.957 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.5 ttm105 -132.97 130.76 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.206 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.85 172.32 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' B' ' 79' ' ' ALA . 0.4 OUTLIER -144.56 104.74 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -123.55 129.58 51.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.049 . . . . 1.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -104.97 175.08 21.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -37.02 64.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 1.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 12.5 12.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.633 ' OD1' ' HB3' ' A' ' 96' ' ' ALA . 12.2 t-20 -97.79 10.2 40.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.745 HG13 HG13 ' A' ' 95' ' ' VAL . 4.4 mt -124.76 146.64 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -133.37 102.4 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 109.653 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.68 168.36 18.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.5 -178.66 40.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 1.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.577 0.81 . . . . 1.0 109.262 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.406 0.146 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.51 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.6 OUTLIER 167.25 124.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 1.0 109.259 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.92 154.7 40.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 1.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.59 14.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 1.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -55.93 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.359 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -68.05 -42.41 80.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 1.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.586 ' HG2' ' CZ ' ' B' ' 103' ' ' PHE . 12.2 mtm -57.95 -51.61 68.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 1.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 78.5 m -58.58 -49.98 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 1.0 110.415 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.14 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 t -59.17 -46.48 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.616 1.198 . . . . 1.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.758 HG21 ' HB1' ' B' ' 78' ' ' ALA . 7.4 t -54.2 -42.12 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.77 -48.57 81.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -42.63 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.454 ' HH ' ' HH ' ' B' ' 55' ' ' TYR . 80.6 t80 -60.69 -50.86 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.22 -52.8 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.68 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 1.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' B' ' 26' ' ' ILE . . . -62.97 -28.28 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.716 ' HA ' HD11 ' B' ' 26' ' ' ILE . 25.9 tp -72.59 -56.68 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 1.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -53.95 -49.27 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.562 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -58.23 -26.63 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.467 ' CA ' HD22 ' B' ' 59' ' ' LEU . . . 68.7 50.87 33.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 1.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.562 ' OD2' ' HB3' ' B' ' 20' ' ' ALA . 1.4 p-10 -109.46 97.05 6.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 27' ' ' VAL . 5.7 mt -64.78 -45.46 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -45.05 73.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.97 -65.44 2.7 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 1.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' B' ' 18' ' ' LEU . 60.2 mt -43.55 -37.67 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 23' ' ' LEU . 37.4 t -68.38 -44.39 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -68.84 -12.81 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 1.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.6 tt -72.4 -66.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 1.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.66 ' CZ ' HG21 ' B' ' 51' ' ' ILE . 49.4 p90 -87.01 174.51 8.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.64 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -47.07 172.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.698 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -100.14 -13.22 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -121.42 17.45 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.98 179.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.631 HG22 ' CB ' ' B' ' 46' ' ' SER . 48.9 p -133.29 124.35 27.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 1.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.65 HG23 HG12 ' B' ' 51' ' ' ILE . 65.1 t -97.73 138.28 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 35.6 tt0 -139.63 67.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 1.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' B' ' 54' ' ' PHE . 0.0 OUTLIER -140.09 141.8 28.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 1.0 109.349 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.536 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.0 Cg_endo -75.05 -66.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.015 -2.494 . . . . 1.0 110.947 0.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.852 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -157.46 -175.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 1.0 109.24 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.88 2.7 8.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 1.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.05 72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 0.736 . . . . 1.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -168.98 64.0 0.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.0 144.17 29.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 1.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.483 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 10.0 mtt180 -117.37 141.73 47.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.631 ' CB ' HG22 ' B' ' 35' ' ' THR . 17.6 p -116.23 148.49 40.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 1.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.4 148.04 23.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 1.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.698 HG23 ' O ' ' B' ' 32' ' ' ASP . 30.2 p -64.66 -17.24 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 1.0 110.358 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.485 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.58 -61.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.483 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -67.12 -37.2 83.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.66 HG21 ' CZ ' ' B' ' 30' ' ' PHE . 28.0 mt -62.62 -65.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' B' ' 48' ' ' THR . 0.0 OUTLIER -53.8 -44.19 69.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 6.4 mm-40 -50.9 -49.14 60.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 1.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' B' ' 38' ' ' ASP . 15.5 t80 -68.81 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.576 ' O ' HD12 ' B' ' 59' ' ' LEU . 0.9 OUTLIER -42.45 -28.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 110.999 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.94 -56.3 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 10.2 t-20 -55.24 -23.1 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 23.4 t -81.17 -58.87 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.576 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.9 OUTLIER -56.49 -18.77 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -45.17 -26.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' B' ' 59' ' ' LEU . 10.9 tp -90.19 132.37 36.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.1 Cg_endo -75.01 75.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.396 1.735 . . . . 1.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.519 ' O ' HD12 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.21 170.27 8.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.11 105.92 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' B' ' 82' ' ' PHE . 4.2 t -82.76 142.37 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 1.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -161.14 141.2 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.255 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.406 HD23 ' O ' ' B' ' 81' ' ' ALA . 0.2 OUTLIER -70.14 152.73 43.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -154.76 22.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 110.34 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.772 ' HG3' ' HB3' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -147.99 -86.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.366 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.424 ' HB3' ' NH2' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -179.22 -177.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.92 HG22 ' CB ' ' B' ' 80' ' ' PHE . 70.4 t -123.66 139.1 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.611 ' HG3' HD12 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -110.84 83.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 1.0 110.331 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.54 ' HB1' ' HE3' ' B' ' 7' ' ' MET . . . -83.63 101.9 11.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 2.5 t -152.56 158.85 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.25 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.699 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . 55.06 55.16 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 1.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 75' ' ' ALA . 20.7 p30 38.95 30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' B' ' 74' ' ' VAL . 6.0 pt-20 -145.54 140.56 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.758 ' HB1' HG21 ' B' ' 11' ' ' VAL . . . -98.63 124.53 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.683 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -128.07 88.79 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.92 ' CB ' HG22 ' B' ' 71' ' ' VAL . 38.6 p90 -110.78 172.7 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.772 ' HB3' ' HG3' ' B' ' 69' ' ' GLN . . . -124.65 132.01 53.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.662 ' HD2' HG13 ' B' ' 65' ' ' VAL . 38.6 p90 -136.88 169.96 16.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 1.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -113.8 165.38 12.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 1.0 110.399 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -137.61 114.79 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 1.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -88.67 126.97 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.932 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.831 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.2 p90 -158.47 136.55 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 1.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.46 150.23 27.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' B' ' 89' ' ' GLN . 0.4 OUTLIER -110.28 75.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.0 111.061 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' B' ' 88' ' ' TYR . 5.1 pm0 35.33 80.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.83 -28.24 15.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 -97.26 164.74 12.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 1.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -133.15 143.12 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 26.0 m -155.73 143.16 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.351 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.407 HG13 ' ND1' ' B' ' 122' ' ' HIS . 1.4 p -135.93 120.05 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.831 HG23 ' CE1' ' B' ' 86' ' ' PHE . 20.5 t -97.57 162.69 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -138.82 68.87 43.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.521 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 1.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.967 HD12 ' HD2' ' A' ' 72' ' ' ARG . 1.3 mt -113.33 124.35 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 0.3 OUTLIER -96.09 118.57 32.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' B' ' 100' ' ' HIS . 0.2 OUTLIER -135.05 115.21 13.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.717 ' HZ ' HG22 ' B' ' 11' ' ' VAL . 4.3 p90 -146.63 158.38 43.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.668 ' O ' HG13 ' B' ' 109' ' ' VAL . 4.0 mtm105 -107.04 151.67 25.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 110.216 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.718 ' CB ' HG22 ' B' ' 109' ' ' VAL . 3.2 p90 -169.47 170.07 8.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' B' ' 108' ' ' LYS . 2.4 t30 -94.39 137.36 33.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 1.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.75 ' O ' ' HB2' ' B' ' 106' ' ' ALA . . . -42.91 97.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 1.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' B' ' 105' ' ' GLY . . . 151.23 -20.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 0.733 . . . . 1.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.05 25.74 4.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 1.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -87.79 73.15 9.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 0.737 . . . . 1.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.718 HG22 ' CB ' ' B' ' 103' ' ' PHE . 1.8 t -90.82 124.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.637 HG22 ' HB2' ' B' ' 31' ' ' ALA . 59.7 t -118.82 -8.45 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -149.37 133.73 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 110.074 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.489 ' CB ' ' HB3' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -147.74 146.73 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 111.031 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' B' ' 114' ' ' ALA . 0.6 OUTLIER -152.82 140.01 19.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 1.0 110.226 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.502 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -109.04 168.33 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.54 107.9 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 1.0 109.235 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' B' ' 117' ' ' GLY . 0.1 OUTLIER -124.05 -175.45 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 111.014 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' B' ' 116' ' ' PHE . . . -178.49 179.61 48.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.886 ' HA ' HD12 ' B' ' 121' ' ' ILE . 16.9 pt-20 -67.94 -42.98 80.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 1.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 1.4 mttp -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 1.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.484 ' OD1' ' CZ ' ' A' ' 72' ' ' ARG . 37.4 m-80 -73.23 -15.2 61.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' B' ' 118' ' ' GLU . 7.2 mt -95.69 134.72 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 1.0 109.249 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.0 OUTLIER -127.88 94.62 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 1.0 109.571 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.38 172.66 5.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 162.65 179.15 37.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.986 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.29 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.681 ' O ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.532 0.206 . . . . 1.0 111.0 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' ALA . 64.6 t-20 -65.15 97.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.681 HG22 ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -157.6 154.82 26.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 1.0 110.422 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.93 3.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.459 1.768 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.1 -43.09 96.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 1.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.622 ' HB2' HG23 ' A' ' 3' ' ' THR . 10.7 t-80 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -59.32 -52.19 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 1.0 110.961 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 1.028 HG23 HG11 ' A' ' 71' ' ' VAL . 20.5 m -66.92 -50.43 62.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.32 -50.23 40.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' ARG . 7.9 t -56.67 -59.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.767 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.1 t -42.17 -38.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -45.5 77.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -61.33 -43.12 99.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 110.288 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' OH ' ' CZ ' ' A' ' 55' ' ' TYR . 17.7 t80 -59.64 -59.53 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 1.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.746 HG11 ' H ' ' A' ' 67' ' ' LEU . 8.7 t -48.46 -49.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.58 -51.12 58.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.391 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -37.11 76.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HA ' HD11 ' A' ' 26' ' ' ILE . 4.4 tp -60.73 -51.39 69.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.68 -31.14 70.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.49 -10.75 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.547 ' HA2' HD21 ' A' ' 59' ' ' LEU . . . 66.44 49.68 54.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.546 1.154 . . . . 1.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.573 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.2 m-20 -92.73 93.67 8.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.813 HD11 ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -69.14 -66.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.51 -34.76 76.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 1.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.51 3.6 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.467 1.104 . . . . 1.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.682 HG22 ' HE2' ' A' ' 30' ' ' PHE . 38.3 mt -52.33 -35.63 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 23' ' ' LEU . 69.2 t -70.73 -30.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.6 -17.68 47.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.78 -68.2 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.369 1.043 . . . . 1.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.682 ' HE2' HG22 ' A' ' 26' ' ' ILE . 40.5 p90 -85.01 -175.52 5.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -47.87 173.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 1.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 1.021 ' O ' HG23 ' A' ' 48' ' ' THR . 0.6 OUTLIER -104.63 -14.47 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -119.52 14.35 12.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 1.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -57.44 179.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 46' ' ' SER . 29.8 p -129.7 122.41 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 1.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.793 HG23 HG12 ' A' ' 51' ' ' ILE . 21.8 t -103.92 137.87 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -133.73 111.67 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.585 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.08 143.45 9.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 1.0 109.28 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.585 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.94 -70.62 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.036 -2.485 . . . . 1.0 111.012 -0.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.631 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -157.35 154.14 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.603 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 139.62 -50.41 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 3.2 p 149.69 -177.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 1.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.36 79.21 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.77 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -142.12 101.66 3.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 1.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' HG22 ' A' ' 35' ' ' THR . 7.3 p -97.69 140.98 31.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.991 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.95 148.59 23.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.021 HG23 ' O ' ' A' ' 32' ' ' ASP . 2.3 p -63.18 -17.4 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 1.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.88 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.31 97.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 36' ' ' VAL . 96.8 mt -58.45 -59.38 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 1.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.813 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -49.46 -47.16 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 1.2 tp10 -64.76 -27.45 68.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 1.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.78 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.948 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.469 ' CZ ' ' OH ' ' A' ' 14' ' ' TYR . 25.7 m-85 -60.3 -29.01 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.555 ' HA ' HD21 ' A' ' 23' ' ' LEU . . . -68.02 -70.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 1.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.525 ' ND2' ' HA ' ' A' ' 54' ' ' PHE . 8.4 p30 -46.45 -42.41 15.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.441 ' N ' ' CG ' ' A' ' 57' ' ' ASN . 17.6 t -61.96 -49.73 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 1.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.591 HD12 ' CD2' ' A' ' 23' ' ' LEU . 1.3 mt -58.63 -23.77 59.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 10.8 ttmt -43.38 -26.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.393 1.058 . . . . 1.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' A' ' 62' ' ' PRO . 9.4 tp -92.86 140.46 23.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.96 54.32 3.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.611 1.848 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.955 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -98.22 131.99 44.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 1.0 109.376 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.734 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -107.21 103.43 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.688 HG23 HD21 ' A' ' 63' ' ' LEU . 2.1 t -95.1 144.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 3.4 tt0 -158.3 137.99 12.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 1.0 110.384 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 68' ' ' THR . 6.2 tt -61.14 157.99 14.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.899 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.2 p -136.98 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -179.98 -160.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 1.0 110.337 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.84 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 20.8 mm-40 55.51 60.96 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 1.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.028 HG11 HG23 ' A' ' 8' ' ' THR . 53.8 t -111.9 84.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -87.27 104.37 16.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.675 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -102.18 128.79 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.773 HG13 ' N ' ' A' ' 75' ' ' ALA . 5.9 p -157.07 -139.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.773 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -31.48 95.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 1.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.625 ' C ' ' O ' ' A' ' 75' ' ' ALA . 8.8 m-80 20.93 58.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 27.3 tt0 -162.1 158.61 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.28 108.61 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -99.46 106.09 18.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.974 ' CB ' HG22 ' A' ' 71' ' ' VAL . 54.5 p90 -107.59 125.82 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.84 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . . . -86.66 106.81 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 1.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.0 p90 -107.97 -172.61 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -123.56 162.07 23.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 1.0 110.405 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.669 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -139.96 114.69 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 1.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -96.11 116.04 28.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 1.0 110.064 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -154.56 146.98 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -116.75 133.5 55.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 1.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -110.12 170.56 8.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 111.036 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.58 72.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 172.69 -32.59 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 1.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.487 ' CD ' ' O ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER 165.72 -179.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 0.797 . . . . 1.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.41 ' C ' ' OG1' ' A' ' 93' ' ' THR . 7.3 mttm -87.94 154.85 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.66 HG22 HG23 ' A' ' 121' ' ' ILE . 4.9 m -155.83 146.18 21.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.407 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -129.78 118.83 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 1.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.859 HG22 HG12 ' A' ' 121' ' ' ILE . 47.5 t -100.39 166.23 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 1.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.506 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -136.41 69.81 61.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 1.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.02 162.56 36.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 1.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.736 HG12 ' HB2' ' A' ' 81' ' ' ALA . 10.3 mt -114.47 119.81 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.39 125.11 41.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -106.15 106.04 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.767 ' CD2' HG22 ' A' ' 11' ' ' VAL . 12.3 m-30 -94.62 136.63 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 1.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.92 ' O ' HG13 ' A' ' 109' ' ' VAL . 10.4 mtp180 -111.03 144.59 39.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -125.08 170.08 11.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.609 HD21 HG23 ' A' ' 110' ' ' VAL . 2.9 p30 -165.91 175.36 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.89 -58.64 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 1.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.591 ' C ' ' H2 ' ' A' ' 1' ' ' MET . . . -172.89 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 1.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.46 31.25 0.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.429 1.081 . . . . 1.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.438 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 1.4 pttt -105.55 129.04 53.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 1.0 109.37 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 102' ' ' ARG . 5.5 t -94.03 117.65 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.609 HG23 HD21 ' A' ' 104' ' ' ASN . 49.0 t -117.91 -5.71 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.438 ' HB3' ' CD ' ' A' ' 102' ' ' ARG . 2.2 m -141.41 141.61 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.492 ' SD ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -158.6 132.89 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 1.0 111.064 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HD3' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -136.02 160.04 39.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 1.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.484 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . . . -128.22 153.76 46.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.78 HD13 ' NH1' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -136.07 113.82 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 97' ' ' PRO . 6.8 m-85 -106.64 -175.67 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 1.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -176.08 176.24 47.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 1.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.94 -35.82 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 1.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -67.7 -10.01 48.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 1.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -107.58 29.97 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.859 HG12 HG22 ' A' ' 95' ' ' VAL . 3.3 mt -118.46 148.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -141.08 98.87 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.519 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -59.25 175.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.66 176.64 35.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 1.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 1.0 109.301 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.8 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.49 0.186 . . . . 1.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 4.9 p-10 41.0 76.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 1.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -126.9 155.48 75.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -30.71 6.95 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 1.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -68.7 -46.49 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -46.51 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.662 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.595 ' HE3' ' HB1' ' B' ' 73' ' ' ALA . 56.2 mtm -61.97 -61.84 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . 1.007 HG23 HG11 ' B' ' 71' ' ' VAL . 27.1 m -52.49 -39.53 61.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 1.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -60.07 -44.37 94.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.52 -34.87 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' B' ' 80' ' ' PHE . 5.9 t -64.91 -44.99 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -67.05 -39.91 87.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 1.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.488 ' HB3' HD11 ' B' ' 29' ' ' LEU . 0.0 OUTLIER -68.2 -35.86 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 1.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -67.37 -44.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 1.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.691 HG11 ' N ' ' B' ' 67' ' ' LEU . 24.0 t -62.84 -54.49 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.49 84.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.405 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -62.59 -41.49 99.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 1.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.753 HD23 HG21 ' B' ' 65' ' ' VAL . 6.8 tp -60.84 -57.54 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.74 -22.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 1.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.05 -20.69 55.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.649 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 79.24 20.45 69.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.629 ' O ' HD12 ' B' ' 26' ' ' ILE . 4.8 m-20 -73.12 97.33 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.1 OUTLIER -70.94 -72.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.79 -34.38 75.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.47 -57.82 17.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.44 1.088 . . . . 1.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 22' ' ' ASP . 66.0 mt -56.41 -44.9 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 1.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.595 HG22 HG22 ' B' ' 51' ' ' ILE . 3.3 t -61.79 -27.21 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.77 -21.75 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' B' ' 13' ' ' ARG . 2.3 tt -55.54 -58.09 9.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 35.1 p90 -96.48 -177.81 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.1 167.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.961 ' O ' HG23 ' B' ' 48' ' ' THR . 0.5 OUTLIER -98.35 -13.97 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.86 11.31 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -58.93 179.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.654 HG22 ' CB ' ' B' ' 46' ' ' SER . 49.7 p -135.82 140.18 44.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 1.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.766 HG13 ' HG2' ' B' ' 112' ' ' MET . 11.5 t -114.77 138.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -140.62 94.98 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 110.318 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.787 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -148.15 143.52 17.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 1.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.664 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -74.92 -77.33 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.004 -2.498 . . . . 1.0 111.03 -0.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.59 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -157.29 154.33 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.581 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 136.09 -47.02 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 153.15 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 1.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 1.6 mt-10 67.15 63.77 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.0 Cg_endo -74.98 -169.23 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 1.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.956 ' HD3' ' HB1' ' B' ' 50' ' ' ALA . 6.3 mtt-85 -142.1 142.18 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.654 ' CB ' HG22 ' B' ' 35' ' ' THR . 53.0 p -138.89 140.33 38.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.45 150.01 23.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 1.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.961 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.7 p -63.15 -12.32 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.743 . . . . 1.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.32 -64.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.956 ' HB1' ' HD3' ' B' ' 45' ' ' ARG . . . -70.3 -37.19 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.595 HG22 HG22 ' B' ' 27' ' ' VAL . 4.9 mt -60.33 -62.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' B' ' 56' ' ' ALA . 1.3 ttp180 -56.34 -35.98 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 7.8 mm-40 -63.82 -43.02 97.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 1.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.2 OUTLIER -65.83 -58.19 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 1.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.809 ' O ' HD12 ' B' ' 59' ' ' LEU . 12.3 m-85 -60.65 -23.91 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.64 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -76.44 -71.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' B' ' 58' ' ' SER . 29.4 p30 -53.15 -21.03 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 58.4 m -83.79 -48.89 9.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 1.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.809 HD12 ' O ' ' B' ' 55' ' ' TYR . 3.2 mt -58.55 -24.16 60.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 1.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -43.13 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.6 HD23 ' HG ' ' B' ' 63' ' ' LEU . 10.1 tp -91.74 140.27 25.03 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.524 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.6 Cg_endo -74.89 55.52 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 1.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.6 ' HG ' HD23 ' B' ' 61' ' ' LEU . 15.7 mt -54.48 167.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' B' ' 85' ' ' SER . . . -135.51 61.95 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 1.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.808 HG22 ' HB ' ' B' ' 84' ' ' VAL . 86.0 t -77.47 137.77 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -156.79 137.73 13.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.691 ' N ' HG11 ' B' ' 15' ' ' VAL . 14.8 tp -67.22 143.42 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 11.0 p -125.89 -54.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 1.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' B' ' 70' ' ' GLU . 0.1 OUTLIER -178.83 -163.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.697 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 10.1 mm-40 57.76 116.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 1.007 HG11 HG23 ' B' ' 8' ' ' THR . 42.2 t -157.1 68.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.78 ' NH1' HD13 ' A' ' 115' ' ' LEU . 4.8 ptt180 -72.35 102.19 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.595 ' HB1' ' HE3' ' B' ' 7' ' ' MET . . . -101.3 124.92 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 40' ' ' VAL . 1.6 p -175.77 159.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.37 49.49 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 109.347 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 49.49 38.6 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.611 ' HB3' ' CE1' ' B' ' 100' ' ' HIS . 17.8 mt-10 -141.48 169.76 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 1.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.03 110.74 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB3' ' CD ' ' B' ' 72' ' ' ARG . . . -109.27 103.92 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 34.0 p90 -109.65 157.14 19.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.697 ' HB3' ' HB2' ' B' ' 70' ' ' GLU . . . -111.53 115.74 29.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.602 ' CD2' HG13 ' B' ' 65' ' ' VAL . 32.1 p90 -124.54 171.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 1.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -103.86 158.96 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.415 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.808 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.3 OUTLIER -148.68 101.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.804 ' HB2' ' HB3' ' B' ' 64' ' ' ALA . 0.9 OUTLIER -86.04 151.21 23.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 1.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 4.5 p90 -164.11 142.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 1.0 110.997 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' B' ' 88' ' ' TYR . 1.9 tm-20 -106.0 137.38 44.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.374 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.411 ' N ' ' HG2' ' B' ' 87' ' ' GLU . 1.4 m-85 -132.15 106.71 8.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 52.58 50.41 18.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.54 -33.34 4.4 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.46 1.1 . . . . 1.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 3.0 ttt180 -58.65 154.84 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 1.0 110.307 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.52 114.52 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.582 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 97.1 m -126.98 154.03 45.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.418 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -128.27 121.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.776 HG13 HG13 ' B' ' 121' ' ' ILE . 4.2 t -100.32 164.38 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -142.79 63.5 13.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.6 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 167.23 27.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 1.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.775 HD11 ' OE1' ' A' ' 70' ' ' GLU . 27.6 mt -115.87 115.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.65 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -88.67 139.63 30.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' B' ' 77' ' ' GLU . 67.2 t60 -130.21 125.29 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 1.0 109.635 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.439 ' CE1' ' SD ' ' B' ' 112' ' ' MET . 17.6 m-30 -118.96 148.0 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 1.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.404 ' CB ' ' HG2' ' B' ' 77' ' ' GLU . 2.6 ttp180 -130.1 123.06 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' B' ' 108' ' ' LYS . 1.0 OUTLIER -82.91 126.41 32.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 111.063 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -163.11 -159.28 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 1.0 109.307 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.606 ' HA3' HG21 ' B' ' 110' ' ' VAL . . . 58.67 19.96 44.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.445 1.09 . . . . 1.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.09 29.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 1.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.495 ' O ' ' CG ' ' B' ' 108' ' ' LYS . . . -137.0 -42.49 0.1 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.475 1.109 . . . . 1.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.707 ' O ' HG23 ' B' ' 110' ' ' VAL . 0.9 OUTLIER 166.24 -167.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 1.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.422 HG23 ' CE1' ' B' ' 103' ' ' PHE . 91.9 t -52.2 116.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 108' ' ' LYS . 72.4 t -113.74 -13.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.37 119.32 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.766 ' HG2' HG13 ' B' ' 36' ' ' VAL . 2.4 ttp -129.44 127.2 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 1.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -145.69 138.25 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 1.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.787 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . . . -105.35 160.51 15.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.72 97.81 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 6.1 m-85 -98.67 -173.15 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.906 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -167.01 -172.56 34.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 1.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -113.9 4.16 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 1.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 3.63 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.473 ' OD1' ' CA ' ' B' ' 117' ' ' GLY . 7.3 p-10 -110.6 27.96 9.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.906 HD11 ' O ' ' B' ' 117' ' ' GLY . 3.3 mp -126.48 140.66 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.425 ' C ' HG23 ' B' ' 93' ' ' THR . 7.8 m80 -129.64 103.44 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.655 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.98 147.3 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.93 177.5 46.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 109.294 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.512 0.196 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -178.32 54.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.414 ' O ' ' SD ' ' A' ' 7' ' ' MET . 14.2 p -125.48 155.5 71.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.566 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 18.4 Cg_endo -75.06 -28.17 9.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 1.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.65 -48.4 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.287 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.98 -41.64 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.786 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -58.18 -55.39 35.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 110.963 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -58.81 -48.75 80.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 1.0 110.378 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.34 75.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 29' ' ' LEU . 2.4 t -62.04 -38.54 81.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.914 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.3 t -63.05 -42.79 97.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.75 -53.76 54.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -59.42 -47.75 84.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.745 ' HA ' HD13 ' A' ' 29' ' ' LEU . 3.1 t80 -55.03 -47.44 74.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 11' ' ' VAL . 60.9 t -62.95 -66.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 1.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' VAL . . . -39.87 -34.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -51.69 18.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.638 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.6 tp -51.18 -51.84 49.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -43.18 95.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 1.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -11.7 58.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.07 49.95 43.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.549 1.156 . . . . 1.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HD12 ' A' ' 26' ' ' ILE . 19.5 t0 -112.48 78.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 1.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 7.9 mt -55.57 -57.81 10.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.59 -39.01 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 1.0 109.356 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -67.79 -67.47 1.96 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 1.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 22' ' ' ASP . 3.6 mt -43.0 -34.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 38.2 t -72.04 -46.25 59.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 1.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -65.74 -13.14 58.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -70.43 -66.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 1.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 43.4 p90 -87.51 177.48 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 1.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -46.46 170.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.645 ' O ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -100.92 -14.72 17.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -119.22 17.47 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -61.62 174.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.239 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.82 HG22 ' CB ' ' A' ' 46' ' ' SER . 11.6 p -128.92 133.32 47.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.683 HG23 HG12 ' A' ' 51' ' ' ILE . 43.3 t -103.96 148.32 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 113' ' ' ARG . 1.8 tm-20 -153.49 90.02 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.599 ' HB2' ' HB3' ' A' ' 114' ' ' ALA . 2.7 p-10 -150.73 148.01 22.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.594 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.6 Cg_endo -74.97 -70.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.98 -2.508 . . . . 1.0 110.998 -0.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.584 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.38 160.26 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 124.02 -41.21 1.78 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.8 m 150.52 -175.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 1.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.89 66.86 0.31 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 1.0 110.339 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.02 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.429 1.752 . . . . 1.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 44' ' ' PRO . 4.5 mmp_? -152.44 148.51 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 1.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.82 ' CB ' HG22 ' A' ' 35' ' ' THR . 40.2 p -146.93 137.34 23.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 1.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 121.06 4.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.593 1.183 . . . . 1.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -46.98 -24.34 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 1.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.04 81.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.683 HG12 HG23 ' A' ' 36' ' ' VAL . 83.8 mt -52.73 -54.51 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 1.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -44.98 84.05 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 1.0 110.324 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.22 -47.4 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -63.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 1.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 51' ' ' ILE . 3.9 m-85 -43.88 -30.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.47 -53.44 10.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -54.83 -23.75 19.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -50.83 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -63.58 -15.77 59.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -57.56 -20.37 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' HD2' ' A' ' 62' ' ' PRO . 11.5 tp -94.51 137.18 22.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.615 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.02 62.62 5.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 1.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -109.14 166.09 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.49 116.31 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.94 137.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 1.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 83' ' ' THR . 19.8 tt0 -163.26 149.53 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.754 ' CD1' ' CZ ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -77.96 170.85 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 1.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.519 HG22 ' OG1' ' A' ' 83' ' ' THR . 0.2 OUTLIER -169.66 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.0 110.372 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' NE2' HG23 ' A' ' 68' ' ' THR . 22.5 mp0 -77.81 -90.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -176.66 -178.38 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 1.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.731 HG13 ' CD1' ' A' ' 80' ' ' PHE . 21.7 t -129.92 125.98 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.535 HH21 ' HA3' ' B' ' 117' ' ' GLY . 4.7 mmp_? -107.52 94.6 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 1.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.899 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -89.64 118.5 29.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 73' ' ' ALA . 1.4 t -173.85 158.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.647 ' HB2' ' CG1' ' B' ' 40' ' ' VAL . . . 58.52 47.18 13.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 1.6 p-10 45.64 28.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.077 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.515 ' OE2' HD21 ' B' ' 115' ' ' LEU . 14.2 pt-20 -144.13 133.65 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 1.0 110.319 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -102.79 113.29 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.917 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -111.67 103.16 11.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.731 ' CD1' HG13 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -117.13 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . . . -121.35 109.96 15.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.84 ' CE2' HG21 ' A' ' 15' ' ' VAL . 15.1 m-85 -106.36 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.519 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -123.68 141.48 51.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 1.2 m -119.85 114.93 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.643 ' HA ' HG23 ' A' ' 94' ' ' VAL . 47.4 t -95.1 125.4 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 1.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.499 ' HE1' HG23 ' A' ' 95' ' ' VAL . 1.1 p90 -166.21 152.19 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -118.1 132.4 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 1.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -107.88 168.99 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 1.0 110.971 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -63.76 72.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 1.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 172.32 -32.01 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 1.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.538 ' NE ' ' HB2' ' A' ' 125' ' ' ALA . 0.9 OUTLIER 167.34 179.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.785 . . . . 1.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 92' ' ' LYS . 1.7 mtpm? -91.29 153.0 20.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 92.6 m -157.67 153.25 26.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.643 HG23 ' HA ' ' A' ' 85' ' ' SER . 1.4 p -135.03 111.1 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.529 1.143 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 121' ' ' ILE . 21.9 t -84.31 167.6 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -143.24 70.06 18.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . 18.5 Cg_endo -74.98 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.766 . . . . 1.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.74 HD12 ' HE ' ' B' ' 72' ' ' ARG . 3.2 mt -115.34 122.15 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.635 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 1.0 OUTLIER -95.45 120.13 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.917 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 1.6 t-160 -113.88 99.64 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 1.0 109.534 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 10.6 m-30 -86.99 141.02 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -114.63 102.42 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 1.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 7' ' ' MET . 47.3 m-85 -79.86 117.81 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.94 -155.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 107' ' ' GLY . . . 57.54 21.44 42.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.441 1.088 . . . . 1.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' GLY . . . 40.15 29.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 1.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -136.08 -44.52 0.1 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.443 1.089 . . . . 1.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER 164.85 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.791 . . . . 1.0 109.252 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 109' ' ' VAL . 12.7 t -52.63 116.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.23 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 108' ' ' LYS . 54.5 t -113.33 0.69 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -160.99 108.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.3 ptp -118.97 129.78 55.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 1.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -128.22 171.82 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -134.8 158.74 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 1.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.549 HD23 HG12 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -138.52 112.87 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 39' ' ' PRO . 6.1 m-85 -105.53 -175.27 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 1.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.428 ' H ' ' ND2' ' A' ' 120' ' ' ASN . . . -157.46 -173.62 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 1.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -25.8 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 1.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.437 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 0.1 OUTLIER -100.9 7.41 43.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 29.6 p-10 -97.99 23.78 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 2.7 mt -129.76 137.11 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -124.49 103.13 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 1.0 109.684 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.51 ' HA ' ' HG1' ' A' ' 93' ' ' THR . . . -77.85 172.98 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 160.0 -177.59 36.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 1.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.538 ' HB2' ' NE ' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.74 . . . . 1.0 109.361 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.448 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.502 0.191 . . . . 1.0 110.978 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 1' ' ' MET . 0.5 OUTLIER 40.36 57.34 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.469 ' O ' ' SD ' ' B' ' 7' ' ' MET . 0.7 OUTLIER -46.15 155.14 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.0 110.44 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -41.3 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 1.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 2.4 mt-10 -63.64 -28.5 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -77.24 -66.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.793 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 1.2 ptt? -52.34 -40.08 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 1.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' B' ' 73' ' ' ALA . 90.2 m -70.1 -43.75 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 1.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -58.9 -35.16 72.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.04 -49.56 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' B' ' 80' ' ' PHE . 2.6 t -52.85 -38.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.45 -54.9 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -28.45 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' B' ' 15' ' ' VAL . 0.8 OUTLIER -69.86 -50.03 46.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 111.05 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' B' ' 14' ' ' TYR . 3.2 t -57.65 -46.74 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 1.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.41 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.83 59.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 1.0 109.27 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.493 ' HA ' HD11 ' B' ' 26' ' ' ILE . 13.5 tp -59.54 -52.81 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -59.58 -28.8 67.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.95 -26.68 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 1.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 87.73 20.22 51.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 1.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.534 ' O ' HD12 ' B' ' 26' ' ' ILE . 8.5 t0 -72.96 74.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 1.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.877 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -55.77 -35.39 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -72.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.88 -27.68 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 1.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.595 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 50.7 mt -77.13 -51.81 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 1.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.877 HG23 ' O ' ' B' ' 23' ' ' LEU . 88.8 t -62.82 -13.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 1.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.37 -28.57 12.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -49.69 -40.81 41.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' B' ' 51' ' ' ILE . 3.6 p90 -114.43 -178.85 3.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.76 169.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.677 ' O ' HG23 ' B' ' 48' ' ' THR . 0.2 OUTLIER -98.86 -15.84 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -117.87 12.74 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.711 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -52.11 152.52 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -108.71 109.66 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 1.0 110.453 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.583 HG11 ' CD2' ' B' ' 54' ' ' PHE . 92.3 t -90.07 149.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.9 OUTLIER -137.19 75.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.841 ' OD1' ' HB2' ' B' ' 114' ' ' ALA . 0.1 OUTLIER -147.32 128.64 7.23 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 1.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.437 ' HB2' ' H ' ' B' ' 40' ' ' VAL . 18.0 Cg_endo -75.1 -143.55 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.944 0.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.647 ' CG1' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -115.24 158.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 1.0 109.386 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 125.18 -38.74 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 1.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.73 171.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.436 0.727 . . . . 1.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.27 80.64 0.21 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.266 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -168.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.583 1.833 . . . . 1.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -153.08 85.41 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' B' ' 34' ' ' ALA . 84.7 p -105.45 145.3 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 94.04 131.32 6.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.576 1.172 . . . . 1.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.677 HG23 ' O ' ' B' ' 32' ' ' ASP . 12.1 p -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 1.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -65.2 -65.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.34 -55.07 35.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.711 HD11 ' O ' ' B' ' 34' ' ' ALA . 54.7 mt -44.72 -43.25 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -65.92 -45.89 80.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 1.0 110.212 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.31 -33.56 71.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.0 110.343 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.583 ' CD2' HG11 ' B' ' 36' ' ' VAL . 1.6 t80 -72.76 -71.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 1.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' B' ' 51' ' ' ILE . 18.5 m-85 -48.9 -43.43 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.512 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -62.28 -63.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 22.5 t-20 -49.48 -24.39 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -75.23 -58.14 3.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.105 . . . . 1.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.2 OUTLIER -57.04 -19.64 19.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 1.0 109.362 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -47.0 -25.3 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 1.0 109.302 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.527 HD12 ' HD2' ' B' ' 62' ' ' PRO . 11.1 tp -88.22 139.56 30.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 65.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 1.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -117.4 -177.25 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 1.0 109.251 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.96 100.86 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.655 HG13 ' CD2' ' B' ' 82' ' ' PHE . 24.2 t -84.27 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 1.0 109.369 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -166.35 146.23 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.467 ' C ' HG22 ' B' ' 68' ' ' THR . 3.1 mt -76.3 176.27 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.49 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.0 OUTLIER 170.65 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 1.0 110.431 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.637 ' OE1' ' HB3' ' B' ' 81' ' ' ALA . 8.8 tm0? -74.58 -78.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.579 ' CB ' ' NE2' ' B' ' 69' ' ' GLN . 0.0 OUTLIER 171.05 177.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.239 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.903 HG22 ' CB ' ' B' ' 80' ' ' PHE . 61.4 t -126.81 146.51 32.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.74 ' HE ' HD12 ' A' ' 98' ' ' ILE . 6.3 tpp180 -116.22 72.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.793 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -78.56 120.5 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -177.76 156.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.434 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 57.1 52.63 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.446 ' CB ' ' OD1' ' B' ' 104' ' ' ASN . 0.2 OUTLIER 45.17 26.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.312 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' B' ' 7' ' ' MET . 11.3 mt-10 -131.98 166.99 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -137.16 97.5 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.54 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -105.57 94.94 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.903 ' CB ' HG22 ' B' ' 71' ' ' VAL . 36.4 p90 -114.46 170.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.637 ' HB3' ' OE1' ' B' ' 69' ' ' GLN . . . -134.9 132.8 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.655 ' CD2' HG13 ' B' ' 65' ' ' VAL . 42.8 p90 -133.26 174.71 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.49 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.6 OUTLIER -106.2 163.85 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 1.0 110.427 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.6 OUTLIER -142.13 125.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.342 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -96.82 116.35 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 1.0 110.047 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.606 ' CE1' HG23 ' B' ' 95' ' ' VAL . 1.2 p90 -154.27 143.34 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -112.26 134.41 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -110.92 172.37 6.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 111.04 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -63.91 74.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 170.8 -31.55 0.14 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 1.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.778 ' HD2' ' HB1' ' B' ' 123' ' ' ALA . 1.2 ptt180 162.08 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 1.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.403 ' C ' ' OG1' ' B' ' 93' ' ' THR . 4.7 mttt -80.06 153.36 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.57 HG22 ' CG2' ' B' ' 121' ' ' ILE . 4.0 m -155.28 146.72 22.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.456 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.4 OUTLIER -124.4 120.62 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.885 HG22 HG12 ' B' ' 121' ' ' ILE . 61.3 t -99.67 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -137.65 72.65 49.31 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.487 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.5 Cg_endo -74.99 159.53 41.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 1.2 mt -115.33 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.606 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 2.1 m-20 -101.9 124.28 47.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -117.07 103.46 10.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.627 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.474 ' CD2' HG22 ' B' ' 11' ' ' VAL . 11.5 m-30 -102.09 160.22 14.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -137.19 130.11 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.695 ' CD2' HG22 ' B' ' 109' ' ' VAL . 10.0 m-85 -100.8 -174.91 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' B' ' 103' ' ' PHE . 7.5 m120 90.83 -135.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.764 ' O ' ' HB2' ' B' ' 106' ' ' ALA . . . 60.33 12.67 25.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.451 1.094 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' B' ' 105' ' ' GLY . . . 151.49 -20.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 1.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 121.3 34.09 0.91 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 1.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.99 -172.7 2.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 0.734 . . . . 1.0 109.376 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.695 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.4 t -91.0 118.35 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.562 ' O ' HG12 ' B' ' 110' ' ' VAL . 73.0 t -134.54 10.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -146.8 131.54 17.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.531 ' CE ' HG22 ' B' ' 36' ' ' VAL . 3.3 mtm -150.26 142.93 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 1.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -148.76 165.95 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 110.355 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.841 ' HB2' ' OD1' ' B' ' 38' ' ' ASP . . . -135.53 168.19 19.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 1.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.515 HD21 ' OE2' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -152.39 105.11 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.724 ' O ' HG21 ' A' ' 74' ' ' VAL . 7.3 p90 -115.39 127.58 55.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.535 ' HA3' HH21 ' A' ' 72' ' ' ARG . . . -109.08 -172.32 20.97 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.437 1.085 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 1.4 mp0 -110.65 2.69 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 1.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' LYS . . . . . 0.466 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -108.98 18.21 20.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.504 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 2.8 p30 -131.59 43.84 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.885 HG12 HG22 ' B' ' 95' ' ' VAL . 3.2 mt -133.29 147.24 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.456 ' HB2' HG12 ' B' ' 94' ' ' VAL . 2.9 m80 -137.7 115.22 11.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 1.0 109.602 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.778 ' HB1' ' HD2' ' B' ' 91' ' ' ARG . . . -79.6 167.59 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.91 173.29 38.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 1.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 1.0 109.248 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.475 0.178 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 40.88 66.71 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.482 ' O ' ' SD ' ' A' ' 7' ' ' MET . 47.9 p -113.28 155.38 44.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.49 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.1 Cg_endo -75.09 -37.45 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 1.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.9 tm-20 -67.3 -28.49 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.445 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 2.4 t-80 -77.0 -65.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.807 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -51.59 -43.84 62.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.643 HG23 HG11 ' A' ' 71' ' ' VAL . 91.2 m -66.55 -45.86 78.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.47 -33.81 68.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 1.0 109.313 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG13 HD22 ' A' ' 29' ' ' LEU . 24.8 t -68.43 -49.11 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.71 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.4 t -51.52 -42.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -63.94 -49.06 74.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.23 -35.39 73.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.9 t80 -65.31 -49.43 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 1.0 110.992 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.85 -47.3 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.39 46.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 22' ' ' ASP . . . -50.17 -42.49 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.567 HD23 ' HB ' ' A' ' 65' ' ' VAL . 9.7 tp -56.83 -53.71 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 9.1 t-20 -61.04 -22.51 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.21 31.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 1.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.04 9.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 1.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.7 ' O ' HD12 ' A' ' 26' ' ' ILE . 14.7 t0 -96.44 71.14 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 1.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.924 HD11 ' HA ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -55.45 -40.02 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 1.0 109.322 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -72.47 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.88 -27.83 0.4 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 22' ' ' ASP . 32.0 mt -78.36 -48.25 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.893 HG21 ' HG3' ' A' ' 52' ' ' ARG . 68.7 t -68.07 -10.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.2 -26.46 12.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.556 HD22 HG13 ' A' ' 10' ' ' VAL . 1.9 mt -48.82 -37.85 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 1.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.4 p90 -115.81 -175.88 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.721 ' CB ' HG22 ' A' ' 110' ' ' VAL . . . -44.88 168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 1.004 ' O ' HG23 ' A' ' 48' ' ' THR . 0.2 OUTLIER -91.19 -17.69 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 1.0 109.398 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -125.51 26.85 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 1.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.91 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -60.01 166.42 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 45' ' ' ARG . 29.9 p -119.64 125.88 49.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.828 HG13 ' HE2' ' A' ' 112' ' ' MET . 3.5 t -104.4 139.53 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.489 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -133.02 55.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 1.9 p-10 -125.11 144.03 46.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.0 Cg_endo -75.02 -67.37 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.847 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -156.94 178.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.45 16.35 9.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 p 62.84 -177.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 1.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 68.12 62.81 0.68 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.02 152.68 40.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 1.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 35' ' ' THR . 6.6 mtt180 -101.32 166.61 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 110.239 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.424 ' CB ' HG22 ' A' ' 35' ' ' THR . 74.0 p -151.7 142.94 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 1.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.27 127.83 5.68 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.516 1.135 . . . . 1.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.004 HG23 ' O ' ' A' ' 32' ' ' ASP . 3.3 p -46.53 -25.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . . . -63.04 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.46 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.545 HG21 ' CE1' ' A' ' 30' ' ' PHE . 14.4 mt -54.8 -38.31 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.893 ' HG3' HG21 ' A' ' 27' ' ' VAL . 10.9 mtm105 -71.21 -66.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.2 -39.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 1.0 110.253 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE2' ' OD1' ' A' ' 38' ' ' ASP . 1.1 t80 -65.86 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 1.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.5 ' CB ' HD21 ' A' ' 23' ' ' LEU . 7.6 m-85 -56.04 -16.95 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.924 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -77.39 -66.43 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 1.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -60.18 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -75.46 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -57.46 -20.06 28.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 1.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -27.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 1.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.56 HD12 ' HD2' ' A' ' 62' ' ' PRO . 11.1 tp -76.78 139.27 66.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.56 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 64.39 6.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 1.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.13 -177.25 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.82 104.03 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.567 ' HB ' HD23 ' A' ' 18' ' ' LEU . 89.2 t -84.13 137.64 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 1.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -155.95 149.63 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' ' 68' ' ' THR . 2.6 mt -83.63 170.62 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER 177.8 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 1.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.545 ' NE2' ' HB2' ' A' ' 70' ' ' GLU . 11.3 tm0? -69.46 -76.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.545 ' HB2' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER 163.42 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.922 HG22 ' CB ' ' A' ' 80' ' ' PHE . 71.7 t -133.85 146.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.842 HH21 ' HB3' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -121.14 87.88 2.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.807 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -86.54 129.47 34.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 HG21 ' B' ' 40' ' ' VAL . 1.6 p -141.4 -150.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.795 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -40.68 94.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 1.0 109.233 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' VAL . 1.0 OUTLIER 37.22 31.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.539 ' OE1' HD21 ' B' ' 115' ' ' LEU . 1.9 tt0 -123.8 160.13 28.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -148.08 87.43 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.46 101.4 12.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.922 ' CB ' HG22 ' A' ' 71' ' ' VAL . 49.8 p90 -119.98 179.87 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.771 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -142.9 137.84 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 11.5 p90 -137.03 -179.86 5.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 1.0 111.055 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -115.52 160.24 20.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 1.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -134.71 120.95 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 48.2 m -95.84 117.25 30.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 1.4 p90 -154.82 151.21 28.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 1.5 pt-20 -130.68 142.07 50.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.96 135.91 45.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.74 48.55 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 110.288 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.08 31.04 75.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 1.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -124.91 113.54 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 1.0 110.264 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.43 140.43 41.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.552 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 4.4 m -154.24 146.07 23.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 1.0 110.376 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -132.71 119.85 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.764 HG22 HG12 ' A' ' 121' ' ' ILE . 48.5 t -102.03 166.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 1.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 120' ' ' ASN . . . -138.07 71.65 47.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.472 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.429 1.752 . . . . 1.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.771 HG12 ' HB2' ' A' ' 81' ' ' ALA . 10.9 mt -111.49 157.82 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.618 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.7 m-20 -136.07 144.93 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.559 ' NE2' ' CG2' ' A' ' 98' ' ' ILE . 15.8 m170 -132.02 91.61 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 1.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.71 ' CD2' HG22 ' A' ' 11' ' ' VAL . 4.6 m-30 -83.94 133.66 34.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 111' ' ' SER . 4.4 ttp180 -116.7 112.93 21.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 1.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.823 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -84.13 114.43 21.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 1.0 111.043 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 106' ' ' ALA . 8.5 t30 -114.73 -155.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.25 28.88 0.19 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.514 1.134 . . . . 1.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 104' ' ' ASN . . . 47.18 71.14 0.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 0.758 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.76 47.15 2.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 1.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -159.93 105.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 1.0 109.253 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.823 HG22 ' CD2' ' A' ' 103' ' ' PHE . 4.6 t -64.42 121.37 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 109.355 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.91 HG13 ' HA ' ' A' ' 34' ' ' ALA . 84.1 t -132.2 -62.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -80.14 114.8 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.965 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.828 ' HE2' HG13 ' A' ' 36' ' ' VAL . 1.7 ptm -139.99 133.53 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.791 ' HD3' HD12 ' A' ' 115' ' ' LEU . 4.4 tmm_? -136.12 146.84 47.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 110.236 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.529 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -110.68 172.65 6.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 1.0 109.38 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.915 HD23 ' CG2' ' B' ' 74' ' ' VAL . 0.1 OUTLIER -157.16 102.53 1.96 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 1.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -116.37 129.08 56.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -111.57 -173.83 19.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 1.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.641 ' HA ' HD12 ' A' ' 121' ' ' ILE . 1.2 mm-40 -110.5 23.56 14.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 1.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.48 ' HZ2' ' HB3' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -116.78 16.62 15.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.687 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -142.65 49.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.764 HG12 HG22 ' A' ' 95' ' ' VAL . 7.0 mt -135.18 136.57 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.357 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -129.1 138.66 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.541 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.82 161.58 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 161.61 176.17 33.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 1.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 1.0 109.314 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.427 0.156 . . . . 1.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.408 ' ND2' ' OD1' ' B' ' 76' ' ' ASN . 2.9 m-20 -89.24 62.25 6.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.162 . . . . 1.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.2 p -112.04 161.56 25.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 1.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -29.37 8.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 1.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.42 -43.99 84.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.85 -46.19 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.534 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -54.17 -52.37 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.0 111.04 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.04 -46.42 90.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 110.444 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.75 69.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.246 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.34 -45.47 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.668 HG22 ' CE1' ' B' ' 80' ' ' PHE . 6.6 t -61.24 -41.29 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -59.57 -51.26 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -59.98 -34.55 73.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -69.25 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 1.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 11' ' ' VAL . 48.9 t -63.63 -56.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -53.51 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 1.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.634 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -52.55 -48.04 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.232 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.756 HD23 HG11 ' B' ' 65' ' ' VAL . 15.4 tp -53.01 -53.95 42.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 65' ' ' VAL . 3.3 t-20 -62.05 -21.6 65.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.05 -12.57 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 1.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.449 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . 65.88 27.64 72.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.765 ' O ' HD12 ' B' ' 26' ' ' ILE . 33.5 m-20 -76.07 97.62 4.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 1.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 1.8 mt -70.2 -59.04 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 1.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.74 -34.33 72.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 1.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.48 -66.84 2.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.765 HD12 ' O ' ' B' ' 22' ' ' ASP . 12.9 mt -46.34 -37.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.551 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.4 t -68.22 -39.77 81.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -71.32 -17.0 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -64.29 -59.04 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.64 ' HE2' HG22 ' B' ' 26' ' ' ILE . 25.5 p90 -98.86 -177.76 3.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -48.02 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 1.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 1.01 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -104.03 -14.86 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -115.96 16.2 16.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -66.94 165.18 16.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.685 HG22 ' CB ' ' B' ' 46' ' ' SER . 2.0 p -118.56 133.7 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 1.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.682 HG23 HG12 ' B' ' 51' ' ' ILE . 25.1 t -107.22 138.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 1.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 2.8 mt-10 -137.78 97.79 3.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.258 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.552 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 2.9 t0 -143.55 122.65 7.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.552 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.0 -87.03 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.992 -2.503 . . . . 1.0 111.006 -0.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.817 HG21 HG11 ' A' ' 74' ' ' VAL . 2.0 t -136.38 141.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.383 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.2 27.42 39.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 1.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 16.1 m -111.57 62.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 1.0 109.938 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 41.11 86.67 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.346 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.03 144.73 30.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 1.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.469 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 10.2 mpt_? -87.81 150.16 23.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.685 ' CB ' HG22 ' B' ' 35' ' ' THR . 19.4 p -136.05 104.45 5.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.028 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.67 157.9 10.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 1.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' THR . . . . . 1.01 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.5 p -60.34 -26.75 66.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 1.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.44 -68.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -56.16 -52.01 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 1.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.682 HG12 HG23 ' B' ' 36' ' ' VAL . 5.2 mt -46.36 -46.07 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' B' ' 53' ' ' GLU . 55.0 ttp85 -61.76 -62.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 52' ' ' ARG . 0.0 OUTLIER -45.15 -36.06 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.487 ' CD2' ' N ' ' B' ' 55' ' ' TYR . 9.8 t80 -69.5 -68.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 1.0 110.952 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.564 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.4 m-85 -43.98 -27.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.24 -51.33 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.37 -36.13 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -69.93 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.564 HD12 ' O ' ' B' ' 55' ' ' TYR . 1.0 OUTLIER -54.45 -19.78 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -40.96 -29.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 1.0 109.242 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.881 HD11 ' O ' ' B' ' 87' ' ' GLU . 13.9 tp -99.7 137.49 20.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 1.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 54.65 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.516 1.798 . . . . 1.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' B' ' 85' ' ' SER . 0.2 OUTLIER -78.97 -177.66 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 106.45 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.756 HG11 HD23 ' B' ' 18' ' ' LEU . 37.3 t -87.03 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -162.85 129.13 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 1.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' B' ' 81' ' ' ALA . 5.5 mt -59.89 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.423 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.35 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -85.18 -98.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -174.57 -179.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.903 HG22 ' CB ' ' B' ' 80' ' ' PHE . 84.3 t -119.6 139.29 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 1.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.422 ' HG2' HD12 ' A' ' 98' ' ' ILE . 6.6 mpt_? -117.53 86.49 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 1.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -84.13 128.36 34.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.915 ' CG2' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -141.93 -150.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.481 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -45.42 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.2 OUTLIER 35.1 36.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.563 ' OE2' ' CE1' ' B' ' 100' ' ' HIS . 2.7 mt-10 -136.76 106.24 6.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -101.66 97.02 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.693 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -107.21 108.31 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.903 ' CB ' HG22 ' B' ' 71' ' ' VAL . 8.9 p90 -123.45 153.23 40.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 1.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.498 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -107.91 130.68 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 109.282 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.629 ' CE2' ' CG1' ' B' ' 84' ' ' VAL . 6.7 p90 -135.96 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 1.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.423 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.51 161.24 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 110.412 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.629 ' CG1' ' CE2' ' B' ' 82' ' ' PHE . 4.2 m -149.18 124.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' B' ' 93' ' ' THR . 73.5 m -104.04 116.55 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 1.0 110.036 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.586 ' CZ ' ' CG2' ' B' ' 84' ' ' VAL . 13.4 m-30 -104.48 172.9 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 1.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.881 ' O ' HD11 ' B' ' 61' ' ' LEU . 28.6 tt0 -147.14 159.83 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 110.233 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.498 ' N ' ' CG ' ' B' ' 87' ' ' GLU . 1.6 m-85 -156.44 78.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 39.75 65.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 1.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.15 -32.89 6.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 1.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.454 ' HB2' ' CB ' ' B' ' 88' ' ' TYR . 1.2 mtp180 -79.07 157.47 28.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.786 . . . . 1.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.426 ' HG3' ' HB3' ' B' ' 125' ' ' ALA . 0.1 OUTLIER -156.15 141.73 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' B' ' 85' ' ' SER . 2.6 m -136.01 166.64 22.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 1.0 110.448 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.745 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.8 t -142.9 86.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.906 HG22 ' CG1' ' B' ' 121' ' ' ILE . 54.6 t -87.99 147.24 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.538 ' O ' ' CZ ' ' A' ' 72' ' ' ARG . . . -122.76 72.17 41.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.741 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.2 Cg_endo -74.95 168.46 24.78 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 1.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.498 HG12 ' CB ' ' B' ' 81' ' ' ALA . 71.6 mt -123.16 115.61 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -86.26 142.0 28.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.693 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 16.5 t-160 -136.16 101.72 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.639 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' B' ' 101' ' ' PHE . 9.2 m-30 -101.32 129.82 47.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -116.57 123.55 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 1.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' B' ' 108' ' ' LYS . 1.2 m-85 -74.15 124.93 27.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.18 -165.15 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 1.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.499 ' HA3' HG21 ' B' ' 110' ' ' VAL . . . 59.14 21.71 53.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 1.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.13 29.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 0.761 . . . . 1.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' B' ' 108' ' ' LYS . . . -135.14 -44.08 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 1.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.777 ' O ' HG23 ' B' ' 110' ' ' VAL . 0.2 OUTLIER 166.31 -170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 1.0 109.279 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 15.8 t -44.76 119.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 1.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 108' ' ' LYS . 48.9 t -123.5 0.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 27.6 m -159.51 124.16 3.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 1.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.434 ' HE3' ' CE1' ' B' ' 30' ' ' PHE . 2.3 ptp -129.81 121.73 27.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.45 121.92 46.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.537 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -98.76 94.16 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.539 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -71.77 116.36 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.493 ' CG ' ' HB3' ' B' ' 39' ' ' PRO . 2.5 m-85 -101.29 -168.73 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.445 ' N ' ' NH1' ' A' ' 72' ' ' ARG . . . -168.29 -173.85 36.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.462 1.101 . . . . 1.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -135.79 9.69 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 0.814 . . . . 1.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -116.89 -7.66 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.842 ' HB3' HH21 ' A' ' 72' ' ' ARG . 2.0 m120 -118.45 36.65 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.906 ' CG1' HG22 ' B' ' 95' ' ' VAL . 2.3 mp -122.61 140.3 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -123.49 82.99 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0 109.648 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.8 145.24 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.09 42.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 1.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.426 ' HB3' ' HG3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 1.0 109.379 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.433 ' H1 ' ' HA3' ' A' ' 105' ' ' GLY . 36.8 tpp . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.5 0.191 . . . . 1.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 1' ' ' MET . 13.8 t30 -135.54 178.81 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.555 ' OG1' ' CG ' ' A' ' 6' ' ' HIS . 1.4 p -111.17 157.43 38.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.471 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.3 Cg_endo -75.02 -37.28 2.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 1.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.1 mt-10 -69.14 -27.3 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.555 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 0.4 OUTLIER -77.77 -64.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.601 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.768 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 1.6 ptt? -53.08 -39.15 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.785 HG23 HG11 ' A' ' 71' ' ' VAL . 91.5 m -71.17 -45.1 64.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 1.0 110.345 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -56.57 -42.68 79.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.646 HG13 HD22 ' A' ' 29' ' ' LEU . 2.7 t -66.22 -43.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.773 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.7 t -54.44 -39.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -58.27 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.66 -28.19 45.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.587 ' HB2' HD13 ' A' ' 29' ' ' LEU . 3.2 t80 -72.15 -48.71 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.29 -46.17 81.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.35 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.94 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.646 ' HA ' HD11 ' A' ' 26' ' ' ILE . 13.5 tp -63.44 -58.64 6.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -58.54 -19.94 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.94 -32.81 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 97.07 47.64 2.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.152 . . . . 1.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.692 ' O ' HD12 ' A' ' 26' ' ' ILE . 8.7 m-20 -103.84 88.74 3.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 0.779 . . . . 1.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -70.91 -61.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -43.12 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.27 -55.91 27.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 1.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 22' ' ' ASP . 60.1 mt -57.18 -42.93 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 0.802 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 23' ' ' LEU . 99.2 t -63.3 -26.35 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.76 -22.3 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.227 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.646 HD22 HG13 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -53.03 -45.47 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 5.8 p90 -111.91 -177.94 3.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 1.0 111.0 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.669 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -45.25 168.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 48' ' ' THR . 20.5 m-20 -98.22 -13.82 20.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.65 22.48 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -68.43 160.64 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' CB ' ' A' ' 46' ' ' SER . 35.3 p -110.01 139.0 45.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.428 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.669 HG11 ' CE2' ' A' ' 54' ' ' PHE . 2.1 t -122.59 142.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HG2' ' NH1' ' A' ' 113' ' ' ARG . 10.0 tp10 -131.57 80.7 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 1.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.626 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -131.92 135.99 27.57 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 1.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.626 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.95 -77.83 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.048 -2.48 . . . . 1.0 110.972 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG12 HH21 ' A' ' 113' ' ' ARG . 0.0 OUTLIER -159.42 159.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 136.28 -47.45 0.97 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.3 t 151.69 177.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 1.0 109.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' N ' ' OG ' ' A' ' 42' ' ' SER . 1.2 mt-10 68.49 63.4 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.05 143.55 29.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 1.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -99.16 178.57 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 1.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.488 ' CB ' HG22 ' A' ' 35' ' ' THR . 82.3 p -173.16 155.44 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 89.77 131.37 4.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 1.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 32' ' ' ASP . 69.4 p -41.25 -28.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 1.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.27 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 1.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -61.3 -51.44 68.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.526 HG23 ' CE1' ' A' ' 55' ' ' TYR . 8.6 mt -48.15 -48.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG2' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -58.16 -48.45 80.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 1.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -36.14 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 1.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.669 ' CE2' HG11 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -72.89 -69.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.0 110.964 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.597 ' CE2' HG21 ' A' ' 26' ' ' ILE . 21.2 m-85 -47.85 -44.04 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.715 ' HA ' HD21 ' A' ' 23' ' ' LEU . . . -62.48 -63.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 109.371 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -46.75 -30.02 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 1.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.709 HD13 ' CD2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -20.06 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 -29.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 59' ' ' LEU . 12.4 tp -104.25 122.2 44.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 1.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.27 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.393 1.733 . . . . 1.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.835 HD12 ' H ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -139.79 -176.11 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.6 88.52 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.385 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.944 HG22 ' HB ' ' A' ' 84' ' ' VAL . 46.7 t -91.43 137.83 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -165.09 150.03 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.426 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.1 mt -75.69 142.08 42.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 1.0 109.216 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.529 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.6 t -179.96 68.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 110.412 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.2 tt0 -171.43 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 8.9 tp10 174.24 153.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.896 HG22 ' CB ' ' A' ' 80' ' ' PHE . 83.9 t -124.57 104.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.679 HH21 ' C ' ' B' ' 96' ' ' ALA . 0.4 OUTLIER -80.23 85.16 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.768 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -92.37 100.36 12.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.944 ' CG1' HG21 ' B' ' 40' ' ' VAL . 2.5 t -158.31 148.44 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB3' HG11 ' B' ' 40' ' ' VAL . . . 56.07 48.58 17.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 1.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 48.57 30.48 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.268 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 1.4 mm-40 -132.94 117.66 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.597 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -102.91 96.57 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 1.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.99 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -101.22 91.99 4.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.896 ' CB ' HG22 ' A' ' 71' ' ' VAL . 35.4 p90 -110.76 148.59 32.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -114.02 119.93 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 12.1 p90 -120.89 -175.25 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.529 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -122.15 164.65 17.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 110.415 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.944 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -152.76 123.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -93.96 125.4 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.993 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.908 ' CE1' HG23 ' A' ' 95' ' ' VAL . 4.5 p90 -146.35 132.11 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 91' ' ' ARG . 6.0 tt0 -97.61 138.47 34.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.43 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -128.48 105.77 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 111.049 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.29 49.5 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 1.0 110.316 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.93 -31.46 5.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 1.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 62.2 mtp85 -62.87 151.55 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 1.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -124.17 112.29 16.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.087 . . . . 1.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.589 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 74.7 m -126.0 147.45 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.431 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 94' ' ' VAL . 2.7 p -126.45 111.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.908 HG23 ' CE1' ' A' ' 86' ' ' PHE . 77.4 t -89.43 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -123.84 71.9 51.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.066 . . . . 1.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.785 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.4 Cg_endo -74.99 160.89 39.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.582 1.833 . . . . 1.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.93 HD12 ' HD2' ' B' ' 72' ' ' ARG . 8.5 mt -120.86 114.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -90.66 135.73 33.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 1.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.99 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 4.3 t-160 -120.93 86.27 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.773 ' CD2' HG22 ' A' ' 11' ' ' VAL . 4.1 m-30 -69.54 150.34 47.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -128.14 106.85 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 25.0 m-85 -95.12 122.97 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -84.02 103.66 13.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' HA3' ' H1 ' ' A' ' 1' ' ' MET . . . -40.02 161.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 1.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.421 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 40.21 32.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 1.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -156.31 -94.64 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 1.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER 161.4 -175.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 1.0 109.343 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.687 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 43.7 t -61.99 116.11 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 31' ' ' ALA . 46.5 t -134.28 9.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 1.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 1.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.499 ' HG3' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -162.09 141.3 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.751 HH21 HG12 ' A' ' 40' ' ' VAL . 40.3 ttt85 -137.16 129.19 29.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.53 163.02 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.586 HD22 ' HG3' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -144.61 105.1 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.346 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -121.66 126.18 48.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.386 1.054 . . . . 1.0 111.036 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.609 ' O ' HD12 ' A' ' 121' ' ' ILE . . . -114.62 172.78 14.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 1.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.69 -20.23 47.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 1.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 15.06 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.451 ' ND2' ' OE2' ' B' ' 70' ' ' GLU . 4.2 m-20 -114.13 -11.01 12.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.753 ' CG1' HG22 ' A' ' 95' ' ' VAL . 3.8 mp -93.22 135.74 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -127.34 91.87 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.636 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.38 154.87 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.17 177.37 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 1.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.461 0.742 . . . . 1.0 109.303 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.503 0.192 . . . . 1.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -178.58 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.622 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -152.98 154.79 31.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 110.456 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.37 4.67 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 1.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 46.8 tt0 -65.52 -44.45 86.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.622 ' HB2' HG23 ' B' ' 3' ' ' THR . 4.1 t60 -70.17 -43.61 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.549 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.427 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -59.23 -59.15 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 111.008 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -58.44 -38.59 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -55.47 -50.73 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' B' ' 103' ' ' PHE . 54.9 t -58.43 -46.98 89.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.616 ' CG1' ' CD1' ' B' ' 80' ' ' PHE . 2.9 t -56.38 -40.2 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.78 -46.83 83.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -59.71 -38.38 81.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.468 ' CD2' ' CZ ' ' B' ' 101' ' ' PHE . 17.2 t80 -63.51 -52.91 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 t -53.48 -54.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.18 . . . . 1.0 109.309 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -55.44 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.487 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -51.29 -35.61 38.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.587 ' HA ' HD11 ' B' ' 26' ' ' ILE . 9.7 tp -63.79 -53.8 45.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.72 -18.09 63.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 1.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.78 -15.74 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.495 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 78.65 12.68 83.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 1.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.639 ' O ' HD12 ' B' ' 26' ' ' ILE . 0.7 OUTLIER -65.32 90.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 0.804 . . . . 1.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -72.12 -73.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.74 -39.91 78.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -56.71 23.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.639 HD12 ' O ' ' B' ' 22' ' ' ASP . 57.7 mt -53.28 -42.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.748 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.914 HG21 ' CB ' ' B' ' 52' ' ' ARG . 87.3 t -62.73 -32.01 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.63 -19.87 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.492 HD23 ' O ' ' B' ' 29' ' ' LEU . 6.4 tt -50.62 -39.01 49.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 1.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.987 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.1 p90 -117.39 -175.15 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.38 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.711 ' O ' HG22 ' B' ' 48' ' ' THR . 0.3 OUTLIER -94.85 -11.02 29.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.361 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.47 15.81 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.612 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -55.05 159.09 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.56 HG22 ' CB ' ' B' ' 46' ' ' SER . 45.8 p -109.6 122.44 47.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.699 HG21 HG23 ' B' ' 51' ' ' ILE . 14.3 t -112.64 138.14 42.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 1.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -116.98 73.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 110.245 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.591 ' OD1' ' CD2' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -105.69 134.45 19.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 1.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.741 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.7 Cg_endo -74.96 -44.65 0.54 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.084 -2.465 . . . . 1.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.944 HG21 ' CG1' ' A' ' 74' ' ' VAL . 2.0 t -124.21 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.771 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -52.07 -19.36 5.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 5.6 t -60.14 82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 0.782 . . . . 1.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER 86.17 86.59 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 110.264 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.7 14.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 1.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.61 ' HG2' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -147.14 154.58 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.329 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.56 ' CB ' HG22 ' B' ' 35' ' ' THR . 82.5 p -150.44 133.05 15.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 1.0 110.067 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 115.79 123.36 3.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.162 . . . . 1.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.711 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -43.59 -25.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 110.385 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -67.62 -50.85 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.61 ' HB1' ' HG2' ' B' ' 45' ' ' ARG . . . -68.62 -38.29 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.987 HG21 ' CE1' ' B' ' 30' ' ' PHE . 30.7 mt -59.65 -59.41 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.914 ' CB ' HG21 ' B' ' 27' ' ' VAL . 22.6 ptt180 -62.85 -27.16 69.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' B' ' 57' ' ' ASN . 14.3 tp10 -61.03 -62.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 1.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.591 ' CD2' ' OD1' ' B' ' 38' ' ' ASP . 3.6 t80 -58.28 -49.72 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.193 . . . . 1.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.918 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.8 m-85 -60.75 -25.18 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 1.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.716 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -75.28 -72.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 1.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 53' ' ' GLU . 0.9 OUTLIER -52.23 -26.25 11.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 25.6 t -73.62 -53.57 10.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.062 . . . . 1.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.918 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.3 OUTLIER -58.74 -23.08 59.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -43.78 -26.73 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' B' ' 86' ' ' PHE . 12.0 tp -91.44 116.28 66.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 1.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.599 HD12 ' H ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -148.28 -176.17 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.41 102.44 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.691 HG13 ' CD2' ' B' ' 82' ' ' PHE . 6.4 t -92.99 142.07 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -155.7 141.99 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' B' ' 80' ' ' PHE . 0.7 OUTLIER -78.2 118.32 20.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -117.69 -25.29 6.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.639 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 4.8 mt-30 -93.13 -171.15 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' ND2' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -87.89 -175.53 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.878 HG22 ' CB ' ' B' ' 80' ' ' PHE . 99.1 t -141.62 119.65 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.93 ' HD2' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -90.22 91.39 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.11 119.1 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 177.35 162.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 1.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 41' ' ' GLY . . . 53.03 54.91 9.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 44.07 32.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 1.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.418 ' HB3' ' NE2' ' B' ' 100' ' ' HIS . 2.9 mt-10 -135.18 162.76 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -153.52 103.68 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.855 ' HB3' ' CG ' ' B' ' 72' ' ' ARG . . . -107.81 106.3 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.878 ' CB ' HG22 ' B' ' 71' ' ' VAL . 29.0 p90 -111.59 142.55 43.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -108.25 132.23 53.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.691 ' CD2' HG13 ' B' ' 65' ' ' VAL . 40.4 p90 -140.97 172.54 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.1 OUTLIER -107.56 160.88 15.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 1.0 110.419 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.506 HG13 ' CD ' ' B' ' 97' ' ' PRO . 0.6 OUTLIER -137.27 116.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.0 109.269 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -96.83 110.54 23.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.477 1.111 . . . . 1.0 109.967 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' B' ' 93' ' ' THR . 5.8 p90 -139.78 137.14 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.481 ' HB2' ' CB ' ' B' ' 92' ' ' LYS . 56.2 tt0 -135.14 148.6 49.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 1.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.656 ' N ' ' CD1' ' B' ' 88' ' ' TYR . 0.1 OUTLIER -133.9 172.95 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 1.0 111.011 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 67.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 1.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . -178.47 -35.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 1.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.425 ' CG ' ' C ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER 167.82 168.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 1.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.481 ' CB ' ' HB2' ' B' ' 87' ' ' GLU . 9.4 tttm -104.19 157.47 17.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.715 HG22 HG23 ' B' ' 121' ' ' ILE . 5.0 m -155.73 146.1 21.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.471 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -125.87 117.96 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 1.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.876 HG22 HG12 ' B' ' 121' ' ' ILE . 57.9 t -100.86 166.59 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.692 ' HB3' ' ND2' ' B' ' 120' ' ' ASN . . . -137.35 71.12 53.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.506 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 164.94 32.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 1.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -126.26 117.27 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.672 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.2 m-20 -93.54 146.07 24.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.576 ' HD2' ' HB2' ' B' ' 79' ' ' ALA . 39.6 t-80 -136.24 121.62 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.545 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.468 ' CZ ' ' CD2' ' B' ' 14' ' ' TYR . 16.8 m-30 -113.99 145.61 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 137.41 48.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.77 ' CE1' HG23 ' B' ' 109' ' ' VAL . 16.2 m-85 -107.85 155.86 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -117.49 137.05 52.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 1.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -45.83 110.72 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 1.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 51.96 22.02 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.767 . . . . 1.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.496 ' O ' ' CD ' ' B' ' 108' ' ' LYS . . . -114.51 -24.15 4.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 1.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' B' ' 107' ' ' GLY . 0.0 OUTLIER 82.31 -176.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 1.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.77 HG23 ' CE1' ' B' ' 103' ' ' PHE . 46.6 t -68.57 115.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 1.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.558 ' O ' HG12 ' B' ' 110' ' ' VAL . 58.0 t -135.18 10.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.09 121.14 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 110.049 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.783 ' HE1' ' CG ' ' B' ' 30' ' ' PHE . 1.7 mtt -145.65 153.54 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -155.0 143.05 20.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.213 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -111.31 169.17 8.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.654 HD11 ' HE1' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -143.97 104.53 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.914 ' O ' HG21 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -121.79 177.56 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 111.06 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.97 -173.66 45.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.37 -27.14 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 1.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -66.3 -13.26 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.0 109.256 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.692 ' ND2' ' HB3' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -110.82 31.82 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 1.0 109.244 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.876 HG12 HG22 ' B' ' 95' ' ' VAL . 5.1 mt -122.4 149.63 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.448 ' HB2' HG12 ' B' ' 94' ' ' VAL . 2.1 m80 -143.26 102.19 3.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.4 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -63.87 164.66 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.52 -178.54 47.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 1.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 1.0 109.283 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.48 0.181 . . . . 1.0 111.042 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -81.18 54.21 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.3 p -116.38 155.45 48.46 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 1.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.6 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.18 -43.32 78.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 1.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.447 ' O ' HG23 ' A' ' 10' ' ' VAL . 5.0 m80 -71.6 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.937 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 30.8 mtm -58.29 -57.87 10.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.697 HG23 ' HB ' ' A' ' 71' ' ' VAL . 7.2 m -57.54 -48.22 79.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.75 72.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 6' ' ' HIS . 2.9 t -62.39 -43.23 97.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.618 1.198 . . . . 1.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.743 HG22 ' HZ ' ' A' ' 101' ' ' PHE . 56.0 t -58.57 -42.82 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -58.16 9.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -35.88 63.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 1.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' HH ' ' HE2' ' A' ' 55' ' ' TYR . 50.5 t80 -67.38 -48.15 68.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.694 HG21 ' CD2' ' A' ' 67' ' ' LEU . 3.0 t -54.34 -46.53 69.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.34 -62.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -44.36 -39.96 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HA ' HD11 ' A' ' 26' ' ' ILE . 30.9 tp -58.47 -55.45 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -15.13 58.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.93 -13.26 36.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.457 ' HA2' HD21 ' A' ' 59' ' ' LEU . . . 66.93 25.51 73.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.574 1.171 . . . . 1.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.596 ' O ' HD12 ' A' ' 26' ' ' ILE . 12.7 t0 -83.22 90.19 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 1.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 52' ' ' ARG . 3.6 mt -70.22 -51.69 28.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 1.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -54.67 31.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -60.49 -59.98 9.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 22' ' ' ASP . 44.6 mt -42.0 -37.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.582 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.1 t -68.26 -49.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 1.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -62.82 -14.01 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.314 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -64.18 -45.49 88.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.907 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.7 p90 -115.53 -176.57 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -46.5 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -16.63 18.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 1.0 109.252 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.78 12.06 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.82 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -52.75 160.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 1.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.719 HG22 ' CB ' ' A' ' 46' ' ' SER . 31.6 p -123.0 107.73 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 1.0 110.407 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 51' ' ' ILE . 41.1 t -90.07 137.75 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -124.17 62.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.507 ' CB ' ' HB3' ' A' ' 114' ' ' ALA . 1.7 p-10 -138.92 130.42 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.1 -144.06 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.975 -2.511 . . . . 1.0 110.95 0.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.014 HG21 HG11 ' B' ' 74' ' ' VAL . 2.1 t -94.78 -178.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.359 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.69 ' H ' HG12 ' A' ' 40' ' ' VAL . . . 112.59 9.44 19.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 1.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 p 69.58 174.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 68.98 71.22 0.38 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.01 -170.4 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 1.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.571 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.5 mmt-85 -128.51 108.54 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.719 ' CB ' HG22 ' A' ' 35' ' ' THR . 82.3 p -104.62 122.38 45.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 1.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.41 172.12 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.527 HG22 HG11 ' A' ' 27' ' ' VAL . 1.3 m -74.53 -51.96 13.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 1.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.6 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -65.86 -63.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.907 HG21 ' CE1' ' A' ' 30' ' ' PHE . 97.5 mt -47.77 -47.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -62.42 -36.0 81.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.63 -52.0 67.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 1.2 m-30 -62.9 -63.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 1.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 59' ' ' LEU . 14.5 m-85 -49.52 -27.85 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -74.79 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -43.88 -39.79 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -52.61 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -54.46 -19.66 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 1.0 109.36 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.71 -29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.9 tp -105.42 139.59 20.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.592 1.838 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 ' HE1' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -77.2 174.79 10.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.67 113.04 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.85 HG22 HG12 ' A' ' 84' ' ' VAL . 37.4 t -86.49 148.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 6.1 pt-20 -162.28 122.76 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 1.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.694 ' CD2' HG21 ' A' ' 15' ' ' VAL . 1.8 mm? -59.1 142.64 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.511 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 7.6 t -142.77 14.55 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.645 HE21 HH22 ' B' ' 72' ' ' ARG . 8.5 mp0 -141.08 -96.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 178.83 179.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.921 HG22 ' CB ' ' A' ' 80' ' ' PHE . 45.2 t -122.1 128.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.495 ' NH1' ' ND2' ' B' ' 120' ' ' ASN . 8.1 mtp85 -115.36 107.31 15.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 1.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.937 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -94.59 136.79 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.76 HG11 HG21 ' B' ' 40' ' ' VAL . 1.4 t -133.28 -147.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -48.52 95.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 1.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.7 m120 39.19 30.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.228 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -124.92 160.77 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 1.0 110.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -151.22 110.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.6 ' HB3' HD22 ' B' ' 115' ' ' LEU . . . -125.88 114.3 18.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.921 ' CB ' HG22 ' A' ' 71' ' ' VAL . 30.7 p90 -126.06 163.4 23.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.421 1.076 . . . . 1.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -118.63 131.7 56.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.608 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 18.9 p90 -140.06 173.64 11.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 1.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.511 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.85 167.74 9.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.453 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.85 HG12 HG22 ' A' ' 65' ' ' VAL . 7.1 m -153.02 132.93 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -109.86 118.61 36.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 110.022 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 12.5 m-30 -107.01 97.87 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 26.1 tt0 -90.86 104.16 16.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -92.61 -176.73 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.39 67.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 1.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 107.71 16.38 13.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 1.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -129.4 156.6 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 1.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -154.19 97.78 2.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 1.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 85' ' ' SER . 1.8 m -103.94 162.01 13.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 1.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.741 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.6 t -138.02 89.02 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.897 HG22 HG12 ' A' ' 121' ' ' ILE . 55.7 t -86.67 159.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -128.63 77.63 77.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.94 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 1.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.492 ' CG1' ' HG3' ' B' ' 72' ' ' ARG . 1.5 mt -130.4 119.47 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.684 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -88.93 143.47 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.437 ' NE2' HD11 ' B' ' 115' ' ' LEU . 0.4 OUTLIER -154.18 100.78 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.57 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.743 ' HZ ' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -127.24 177.48 6.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.739 ' O ' HG13 ' A' ' 109' ' ' VAL . 11.5 mtp180 -122.97 178.86 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.707 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -133.16 127.61 34.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 106' ' ' ALA . 26.4 t-20 -85.12 111.0 19.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 109.231 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -37.63 -31.95 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 1.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 104' ' ' ASN . . . -138.43 82.85 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 1.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . 157.08 -23.91 0.46 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 1.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.726 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER 87.54 -175.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 0.761 . . . . 1.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 102' ' ' ARG . 9.1 t -55.58 116.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.82 HG13 ' HA ' ' A' ' 34' ' ' ALA . 97.2 t -117.44 -69.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 1.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.0 m -72.57 122.93 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 1.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.49 ' CE ' HG12 ' A' ' 109' ' ' VAL . 5.2 mtt -138.32 138.18 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -140.35 135.47 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.524 ' O ' HG22 ' A' ' 40' ' ' VAL . . . -117.15 156.15 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.867 HD21 ' OE1' ' B' ' 77' ' ' GLU . 0.7 OUTLIER -136.1 151.74 50.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -166.62 146.04 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -154.15 170.07 32.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 1.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.41 -3.7 35.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 1.0 110.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.9 tptm -74.04 -4.05 33.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.085 . . . . 1.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -152.73 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 1.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.897 HG12 HG22 ' A' ' 95' ' ' VAL . 5.7 mt -130.58 141.66 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -129.26 81.41 2.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 1.0 109.55 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.68 122.35 27.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.35 179.48 25.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 1.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.413 0.713 . . . . 1.0 109.297 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.461 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.486 0.184 . . . . 1.0 110.924 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' B' ' 1' ' ' MET . 0.9 OUTLIER -161.66 87.98 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.714 ' O ' ' HE2' ' B' ' 7' ' ' MET . 0.6 OUTLIER -156.29 155.87 29.5 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.391 1.057 . . . . 1.0 110.425 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -42.13 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 1.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.684 ' CB ' HG23 ' B' ' 3' ' ' THR . 7.0 t-160 -70.43 -64.88 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 1.0 109.65 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.95 ' SD ' ' HB1' ' B' ' 73' ' ' ALA . 23.3 ptp -50.55 -43.02 56.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.516 ' N ' ' HG3' ' B' ' 7' ' ' MET . 97.6 m -63.09 -41.6 99.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.45 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.94 -44.42 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.352 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.697 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 2.6 t -54.38 -50.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -58.61 -43.33 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -45.05 93.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.756 ' CE1' HD21 ' B' ' 18' ' ' LEU . 85.9 t80 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.849 HG13 HG12 ' B' ' 65' ' ' VAL . 6.1 t -47.65 -47.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.82 -52.56 40.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.451 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -62.1 -33.84 75.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.756 HD21 ' CE1' ' B' ' 14' ' ' TYR . 4.6 mm? -62.92 -45.19 93.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ASN . . . . . 0.674 ' OD1' ' HB1' ' B' ' 64' ' ' ALA . 2.6 t30 -65.9 -34.37 77.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.74 -7.3 57.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.725 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 67.43 16.77 67.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.568 1.167 . . . . 1.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.687 ' O ' HD12 ' B' ' 26' ' ' ILE . 7.7 t0 -58.96 97.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 0.728 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.8 OUTLIER -74.64 -74.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -47.99 -42.26 27.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.56 -60.92 7.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 1.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.687 HD12 ' O ' ' B' ' 22' ' ' ASP . 54.7 mt -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.953 HG13 HG23 ' B' ' 48' ' ' THR . 3.0 t -77.78 -33.52 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -85.07 -6.27 59.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 9.0 tt -63.44 -45.53 90.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.828 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.5 p90 -106.21 -177.25 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.583 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.48 169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.419 ' HA ' ' OG1' ' B' ' 48' ' ' THR . 3.4 p30 -93.56 -4.59 50.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 1.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -136.41 28.03 3.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.361 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.82 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -71.97 163.4 27.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 82.0 p -113.32 121.1 43.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.788 HG21 HG23 ' B' ' 51' ' ' ILE . 86.7 t -96.08 145.39 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.412 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 9.6 tp10 -136.65 57.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 1.0 110.213 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.796 ' HB2' ' HB3' ' B' ' 114' ' ' ALA . 1.0 OUTLIER -138.05 148.53 60.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.522 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.03 -65.17 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.961 -2.516 . . . . 1.0 111.008 0.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.76 HG21 HG11 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -155.14 -176.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.65 11.33 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 1.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t 65.42 -179.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 1.0 109.948 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 66.57 75.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.6 39.6 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.509 1.794 . . . . 1.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.996 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 0.7 OUTLIER -92.84 117.31 29.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 110.349 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -103.55 122.82 45.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 112.22 124.95 4.44 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.142 . . . . 1.0 111.088 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.953 HG23 HG13 ' B' ' 27' ' ' VAL . 2.9 m -44.38 -25.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 1.0 110.393 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -63.99 -56.55 14.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 1.0 109.356 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.996 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -65.64 -26.15 67.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 1.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.828 HG21 ' CE1' ' B' ' 30' ' ' PHE . 79.0 mt -67.37 -69.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.67 ' CB ' HG21 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -50.63 -34.61 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 1.0 110.286 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -58.97 -58.34 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 1.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -56.8 10.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.466 ' HB3' ' CD2' ' B' ' 23' ' ' LEU . 2.1 m-85 -50.55 -28.53 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -74.87 -53.96 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -60.32 -23.45 64.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 1.143 . . . . 1.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -66.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 1.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.725 HD22 ' HA2' ' B' ' 21' ' ' GLY . 0.9 OUTLIER -53.88 -19.8 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -40.06 -29.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' B' ' 86' ' ' PHE . 10.9 tp -83.12 139.3 42.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 1.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.1 Cg_endo -74.98 77.94 3.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 1.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.83 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.674 ' HB1' ' OD1' ' B' ' 19' ' ' ASN . . . -150.68 118.7 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.849 HG12 HG13 ' B' ' 15' ' ' VAL . 79.3 t -87.1 143.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -144.96 148.6 34.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.416 ' O ' ' HB ' ' B' ' 68' ' ' THR . 0.3 OUTLIER -86.71 142.71 27.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.458 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.2 t 179.14 67.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.4 OUTLIER -179.12 -147.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 50.6 mp0 -112.69 164.55 13.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.909 HG22 ' CB ' ' B' ' 80' ' ' PHE . 59.1 t -130.88 96.85 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.645 HH22 HE21 ' A' ' 69' ' ' GLN . 10.0 mmt180 -71.03 89.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 110.317 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.95 ' HB1' ' SD ' ' B' ' 7' ' ' MET . . . -90.8 156.47 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 1.014 HG11 HG21 ' A' ' 40' ' ' VAL . 2.4 p -171.55 -148.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.78 ' N ' HG13 ' B' ' 74' ' ' VAL . . . -45.36 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 1.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.2 OUTLIER 36.02 32.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.867 ' OE1' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -126.09 152.38 45.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 110.266 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 100' ' ' HIS . . . -147.82 119.11 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' HB2' ' B' ' 100' ' ' HIS . . . -124.93 91.43 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.909 ' CB ' HG22 ' B' ' 71' ' ' VAL . 30.4 p90 -109.2 161.38 15.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 1.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' B' ' 69' ' ' GLN . . . -115.41 124.25 50.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 1.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 9.7 p90 -123.67 -175.69 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.458 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -125.07 153.26 43.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.596 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.9 OUTLIER -127.6 121.1 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.581 ' HA ' HG23 ' B' ' 94' ' ' VAL . 3.7 m -95.19 119.32 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.71 ' CE1' HG23 ' B' ' 95' ' ' VAL . 2.5 p90 -150.98 133.87 15.85 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 1.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -129.31 142.88 50.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 1.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -158.16 144.76 17.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 1.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.92 50.02 13.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 1.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.64 20.39 12.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.446 1.091 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.03 109.24 12.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 1.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.496 ' HD2' ' HB3' ' B' ' 125' ' ' ALA . 0.0 OUTLIER -90.06 147.85 23.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.628 HG22 HG23 ' B' ' 121' ' ' ILE . 27.8 m -157.07 143.17 17.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 110.37 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.581 HG23 ' HA ' ' B' ' 85' ' ' SER . 0.5 OUTLIER -126.92 116.68 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.89 HG22 HG12 ' B' ' 121' ' ' ILE . 99.5 t -94.49 168.04 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -137.06 74.39 49.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.581 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.14 159.12 41.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 1.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' A' ' 72' ' ' ARG . 26.3 mt -109.81 116.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' B' ' 80' ' ' PHE . 1.5 m-20 -93.4 124.17 37.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.515 ' O ' ' CD2' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -139.08 120.25 14.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.656 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.516 ' CB ' ' HA ' ' B' ' 112' ' ' MET . 5.6 p90 -156.19 169.72 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 111.072 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.585 ' O ' HG13 ' B' ' 109' ' ' VAL . 4.6 ptm180 -133.32 159.41 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.698 ' CB ' HG22 ' B' ' 109' ' ' VAL . 1.7 p90 -169.3 162.13 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 1.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.36 -175.6 3.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.73 -147.98 32.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 1.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.39 75.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 1.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.34 43.37 6.61 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.493 1.121 . . . . 1.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.458 ' C ' ' HB2' ' B' ' 103' ' ' PHE . 0.5 OUTLIER -105.28 74.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 1.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.698 HG22 ' CB ' ' B' ' 103' ' ' PHE . 2.1 t -91.37 128.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.499 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 38.6 t -128.26 3.26 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.44 121.37 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.516 ' HA ' ' CB ' ' B' ' 101' ' ' PHE . 1.1 ptm -151.85 147.8 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.512 ' HB2' ' CE1' ' B' ' 100' ' ' HIS . 1.9 mtm180 -140.48 170.03 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.796 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -145.1 164.38 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 1.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -134.03 106.64 7.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' B' ' 95' ' ' VAL . 8.7 t80 -112.94 75.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.07 -176.98 32.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -109.96 0.31 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 1.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.33 23.03 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.634 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 2.0 p30 -146.95 52.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.212 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.89 HG12 HG22 ' B' ' 95' ' ' VAL . 7.8 mt -133.61 143.77 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.449 ' HB2' HG12 ' B' ' 94' ' ' VAL . 5.3 m80 -133.95 101.44 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 1.0 109.555 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.403 ' HA ' ' HG1' ' B' ' 93' ' ' THR . . . -78.36 172.72 13.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.08 173.83 39.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 1.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.496 ' HB3' ' HD2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.56 0.219 . . . . 1.0 111.04 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.541 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 5.0 p-10 -163.9 66.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 1.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.517 ' O ' ' SD ' ' A' ' 7' ' ' MET . 31.0 p -92.79 155.65 41.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 1.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.612 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 13.0 pt-20 -68.42 -28.49 67.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.421 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 23.8 t-80 -75.99 -65.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.585 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.832 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -52.38 -44.38 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.803 HG23 HG11 ' A' ' 71' ' ' VAL . 88.7 m -65.6 -44.23 87.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -58.57 -32.94 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.778 HG13 HD22 ' A' ' 29' ' ' LEU . 3.7 t -69.28 -48.7 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.642 HG11 ' CD2' ' A' ' 80' ' ' PHE . 2.6 t -52.92 -41.83 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -50.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -33.69 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.348 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.513 ' HB2' HD13 ' A' ' 29' ' ' LEU . 3.0 t80 -67.35 -47.12 71.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.931 HG21 ' CD2' ' A' ' 67' ' ' LEU . 3.3 t -57.95 -47.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -53.8 52.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 1.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.51 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.74 HD23 ' CG2' ' A' ' 65' ' ' VAL . 13.1 tp -57.29 -54.13 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.605 ' OD1' ' HB1' ' A' ' 64' ' ' ALA . 41.1 t30 -57.75 -24.66 58.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.76 30.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 1.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.15 40.54 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 1.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.737 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.6 t0 -92.82 94.9 9.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 1.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -74.78 -75.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 1.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 5.8 t0 -50.95 -39.68 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -59.84 -60.34 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 1.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 22' ' ' ASP . 42.5 mt -52.31 -28.65 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 1.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 13.7 t -78.23 -30.05 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 1.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -84.95 -11.7 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.778 HD22 HG13 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -60.47 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 23.7 p90 -84.6 -175.44 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -49.39 177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 48' ' ' THR . 5.6 t70 -105.48 -12.15 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.17 27.14 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.646 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -75.49 178.23 6.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.556 HG22 ' HB2' ' A' ' 46' ' ' SER . 26.7 p -126.81 125.07 41.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.769 HG21 HG23 ' A' ' 51' ' ' ILE . 87.6 t -97.55 137.74 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 34.0 mt-10 -135.35 64.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.473 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -109.04 134.71 20.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.776 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.96 -49.33 0.23 Allowed 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.046 -2.481 . . . . 1.0 110.943 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.005 HG21 HG11 ' B' ' 74' ' ' VAL . 2.4 t -115.84 -174.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.764 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -52.23 -19.47 5.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 1.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -53.32 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER 82.56 76.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 166.16 29.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.446 1.761 . . . . 1.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.41 146.1 36.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 1.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.556 ' HB2' HG22 ' A' ' 35' ' ' THR . 9.6 p -139.94 136.29 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 1.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 147.98 23.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -62.47 -12.71 23.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 0.753 . . . . 1.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.11 -66.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.769 HG23 HG21 ' A' ' 36' ' ' VAL . 68.0 mt -67.72 -68.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 40.0 ttm180 -50.32 -34.05 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 6.6 tt0 -62.61 -64.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 1.0 110.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.649 ' CE1' ' NH1' ' A' ' 45' ' ' ARG . 10.1 t80 -54.09 -51.77 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.06 -32.29 66.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 1.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -68.32 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -52.85 -21.11 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 1.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t -73.71 -59.7 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 1.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.703 HD11 HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.98 -21.48 58.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.356 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.36 -23.49 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.837 HD23 HD23 ' A' ' 63' ' ' LEU . 12.8 tp -79.27 134.3 59.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.757 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 70.13 5.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.837 HD23 HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -125.34 -176.41 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB1' ' OD1' ' A' ' 19' ' ' ASN . . . -145.77 164.9 30.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.74 ' CG2' HD23 ' A' ' 18' ' ' LEU . 91.3 t -138.63 137.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 1.2 tt0 -151.84 139.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 1.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.931 ' CD2' HG21 ' A' ' 15' ' ' VAL . 2.0 mm? -81.57 116.22 21.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -113.78 -26.63 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -87.16 -93.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.14 175.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.803 HG11 HG23 ' A' ' 8' ' ' THR . 62.0 t -115.23 123.46 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.791 ' HG3' HD12 ' B' ' 98' ' ' ILE . 3.7 mmm180 -98.21 82.38 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.832 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -88.63 126.82 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.798 HG13 ' N ' ' A' ' 75' ' ' ALA . 2.3 p -144.94 -148.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.798 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -41.56 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 1.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.7 m120 36.81 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' CD ' HD21 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -122.82 158.75 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -152.4 86.36 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 1.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.084 ' HB1' ' CE1' ' A' ' 100' ' ' HIS . . . -100.6 96.51 7.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.711 ' HB3' HG13 ' A' ' 71' ' ' VAL . 45.2 p90 -114.14 149.21 35.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 1.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.532 ' O ' HD13 ' A' ' 67' ' ' LEU . . . -108.85 125.54 52.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 1.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.737 ' CD2' HG13 ' A' ' 65' ' ' VAL . 44.1 p90 -128.89 168.67 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -111.51 144.93 39.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -118.99 129.7 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 48.8 m -108.86 120.32 42.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.898 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.7 p90 -141.51 147.0 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -113.18 119.91 39.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -94.4 -174.0 3.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 1.0 111.0 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.47 92.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 1.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 52.22 49.77 49.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 1.0 111.004 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -159.27 157.04 29.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 1.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -123.63 137.42 54.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 1.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.604 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 87.1 m -146.47 143.83 29.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -130.08 122.95 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.898 HG23 ' CE1' ' A' ' 86' ' ' PHE . 21.7 t -103.12 170.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.968 ' HB3' ' ND2' ' A' ' 120' ' ' ASN . . . -143.46 68.59 17.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.567 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 18.3 Cg_endo -75.0 161.34 38.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 1.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.707 HD12 ' HG3' ' B' ' 72' ' ' ARG . 10.6 mt -114.05 116.0 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 1.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -89.78 135.99 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 1.084 ' CE1' ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -122.71 93.94 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.0 109.603 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 11' ' ' VAL . 6.0 m-30 -90.08 147.48 23.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -131.16 116.38 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -82.94 123.75 29.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 1.0 111.052 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -159.28 -161.3 0.92 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 1.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.512 ' HA3' HG21 ' A' ' 110' ' ' VAL . . . 60.08 20.5 54.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 1.0 111.08 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.21 29.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 1.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -136.31 -42.77 0.11 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 1.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER 164.91 -167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 1.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 102' ' ' ARG . 18.0 t -51.57 116.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 108' ' ' LYS . 76.0 t -110.33 -4.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 1.0 109.384 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -160.4 132.95 6.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 1.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.569 ' HB2' ' CD1' ' A' ' 101' ' ' PHE . 5.0 ptp -151.57 133.13 14.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.475 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -133.99 142.53 47.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -101.96 168.15 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' B' ' 77' ' ' GLU . 0.3 OUTLIER -142.67 106.49 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.361 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 97' ' ' PRO . 6.5 m-85 -100.76 -175.4 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.66 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -169.14 172.6 43.43 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.527 1.142 . . . . 1.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.4 -7.6 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 1.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.38 17.62 20.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.968 ' ND2' ' HB3' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -122.07 24.78 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.66 HD11 ' O ' ' A' ' 117' ' ' GLY . 2.0 mt -126.51 149.48 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -141.6 102.63 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.638 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.79 170.14 16.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.7 179.37 39.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.441 1.088 . . . . 1.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.74 . . . . 1.0 109.354 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' B' ' 106' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.197 . . . . 1.0 110.985 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 170.11 103.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.846 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -151.1 153.26 32.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 110.404 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.584 ' HA ' ' CG ' ' B' ' 7' ' ' MET . 18.2 Cg_endo -75.06 -36.24 2.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.3 pt-20 -61.64 -30.12 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 1.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.846 ' HB2' HG23 ' B' ' 3' ' ' THR . 1.9 m80 -80.51 -67.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.74 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 1.5 ptm -48.08 -40.05 22.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 1.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.665 HG23 HG11 ' B' ' 71' ' ' VAL . 55.8 m -71.68 -49.73 36.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 1.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -53.76 -36.06 61.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 1.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.917 HG13 HD22 ' B' ' 29' ' ' LEU . 5.2 t -69.84 -47.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.589 HG13 ' CE1' ' B' ' 80' ' ' PHE . 2.5 t -50.55 -39.76 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -67.82 -56.27 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -54.28 -29.12 46.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 1.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.503 ' HH ' ' HE2' ' B' ' 55' ' ' TYR . 7.6 t80 -71.81 -52.04 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 1.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 t -52.5 -46.48 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.21 70.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.506 ' O ' HD11 ' B' ' 26' ' ' ILE . . . -55.75 -24.7 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.692 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.0 tp -78.11 -48.2 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.196 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -56.83 -31.51 64.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 1.0 109.418 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.49 -24.94 36.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 1.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 70.48 52.48 16.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 111.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' B' ' 17' ' ' ALA . 3.8 p30 -110.8 89.24 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.705 HD21 HD12 ' B' ' 59' ' ' LEU . 7.1 mt -59.93 -41.44 91.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.14 -55.04 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -65.31 -63.44 4.12 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.708 HG22 ' HE2' ' B' ' 30' ' ' PHE . 71.1 mt -40.89 -38.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 1.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 23' ' ' LEU . 24.3 t -68.66 -48.84 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 1.0 109.23 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -64.5 -12.0 39.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.917 HD22 HG13 ' B' ' 10' ' ' VAL . 0.4 OUTLIER -70.02 -65.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.708 ' HE2' HG22 ' B' ' 26' ' ' ILE . 28.5 p90 -90.73 -176.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -50.84 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' B' ' 48' ' ' THR . 0.2 OUTLIER -110.76 5.74 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -145.79 19.85 1.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 1.0 109.383 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.605 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -64.84 -177.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.691 HG22 ' CB ' ' B' ' 46' ' ' SER . 61.7 p -133.66 121.74 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.764 HG23 HG12 ' B' ' 51' ' ' ILE . 29.4 t -98.94 137.83 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' B' ' 113' ' ' ARG . 7.2 tp10 -140.74 92.72 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.6 OUTLIER -147.47 145.58 22.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 1.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.583 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.2 Cg_endo -75.01 -63.53 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.027 -2.489 . . . . 1.0 111.004 0.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.583 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -160.99 166.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 109.288 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 119.02 5.69 11.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 1.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 84.97 -178.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 1.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 76.8 69.86 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -177.74 3.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 1.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.529 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 4.6 mmm-85 -139.71 98.21 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.691 ' CB ' HG22 ' B' ' 35' ' ' THR . 24.6 p -92.31 140.59 29.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.21 147.12 20.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 1.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.487 ' CG2' HG13 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -61.8 -21.46 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 1.0 110.421 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.25 -60.48 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 1.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -63.16 -34.23 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.764 HG12 HG23 ' B' ' 36' ' ' VAL . 52.6 mt -66.32 -68.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 17.3 ttp180 -52.1 -33.69 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 1.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 19.6 mt-10 -63.62 -44.34 94.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 1.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -54.82 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.592 ' HE1' HG11 ' B' ' 36' ' ' VAL . 20.7 m-85 -59.96 -28.05 67.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 1.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -78.26 -73.66 0.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 1.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -41.55 -29.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.41 ' N ' ' C ' ' B' ' 56' ' ' ALA . 98.5 p -82.96 -45.74 13.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 1.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.705 HD12 HD21 ' B' ' 23' ' ' LEU . 7.3 mt -55.55 -20.95 14.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 1.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' B' ' 63' ' ' LEU . 10.0 tp -96.69 140.5 22.18 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.98 55.39 3.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.407 1.74 . . . . 1.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.62 ' CD2' HD23 ' B' ' 61' ' ' LEU . 26.2 mt -53.8 166.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.928 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -141.32 64.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' B' ' 84' ' ' VAL . 33.0 t -76.55 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 1.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.74 146.06 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 1.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' B' ' 68' ' ' THR . 3.1 mt -74.6 156.0 37.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.549 ' O ' ' NE2' ' B' ' 69' ' ' GLN . 0.1 OUTLIER 174.65 57.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' B' ' 68' ' ' THR . 1.6 mp0 -167.95 -92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.425 ' HG3' ' NH1' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -167.93 161.72 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.91 HG22 ' CB ' ' B' ' 80' ' ' PHE . 96.1 t -127.16 117.12 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.707 ' HG3' HD12 ' A' ' 98' ' ' ILE . 16.1 mmp_? -89.37 82.15 6.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.74 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -90.83 114.06 26.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 1.005 HG11 HG21 ' A' ' 40' ' ' VAL . 1.4 t -136.41 -146.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.476 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -44.37 90.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 74' ' ' VAL . 26.0 m-20 35.35 35.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 1.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.64 ' HB3' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -132.95 105.32 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 1.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.22 95.26 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.562 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -107.21 97.34 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.91 ' CB ' HG22 ' B' ' 71' ' ' VAL . 48.4 p90 -117.16 161.9 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.487 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -114.21 126.54 55.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.469 ' HD2' HG13 ' B' ' 65' ' ' VAL . 36.7 p90 -130.25 -177.92 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 1.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.487 ' O ' HG13 ' B' ' 65' ' ' VAL . 0.0 OUTLIER -118.83 158.88 24.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.67 HG22 ' O ' ' B' ' 84' ' ' VAL . 0.3 OUTLIER -136.78 100.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.928 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -79.96 126.45 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 1.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.644 ' CE1' HG23 ' B' ' 95' ' ' VAL . 5.5 p90 -155.65 137.07 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.468 ' CG ' ' HG2' ' B' ' 92' ' ' LYS . 25.3 tt0 -117.77 128.01 54.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.514 ' O ' ' N ' ' B' ' 90' ' ' GLY . 1.2 m-85 -101.46 162.08 13.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -63.82 70.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 173.17 -32.54 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 1.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -179.06 179.64 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 0.789 . . . . 1.0 110.315 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.602 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 3.8 mttp -100.88 158.37 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 28.2 m -156.74 154.41 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 110.395 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' B' ' 122' ' ' HIS . 8.1 p -142.9 117.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 1.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.661 ' HB ' HG13 ' B' ' 84' ' ' VAL . 21.7 t -94.89 165.58 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.46 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -138.92 67.95 42.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.586 ' HB3' ' CD1' ' B' ' 116' ' ' PHE . 18.1 Cg_endo -75.04 162.41 37.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 1.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.791 HD12 ' HG3' ' A' ' 72' ' ' ARG . 33.4 mt -112.64 116.4 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 1.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.583 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 1.0 OUTLIER -87.24 142.59 27.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 11.3 t-80 -140.65 95.1 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 109.605 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 15.7 m-30 -96.02 140.98 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 1.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 114.61 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 16.4 m-85 -88.79 167.09 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.39 -177.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 58.94 -155.73 25.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 1.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' B' ' 1' ' ' MET . . . -40.86 -38.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.16 59.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 1.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -136.15 165.14 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 0.794 . . . . 1.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 17.4 t -93.0 119.13 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.533 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 77.0 t -115.93 -8.26 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' SER . . . . . 0.45 ' OG ' ' NH2' ' B' ' 113' ' ' ARG . 4.8 t -147.92 133.23 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 1.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 133.76 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.471 ' HG2' ' CG ' ' B' ' 37' ' ' GLU . 3.7 mtt85 -133.51 148.3 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 39' ' ' PRO . . . -117.97 161.98 18.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.494 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.5 mp -137.82 120.36 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' B' ' 97' ' ' PRO . 3.9 m-85 -110.98 -175.74 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.98 39.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 1.0 111.033 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.87 -69.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 1.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -60.28 -14.72 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 1.0 109.237 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.559 ' ND2' ' CZ ' ' A' ' 72' ' ' ARG . 2.0 t-20 -54.91 -19.09 5.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.6 mt -96.2 134.91 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.465 ' CD2' HG13 ' B' ' 94' ' ' VAL . 0.2 OUTLIER -125.34 92.64 3.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 1.0 109.61 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.495 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -61.96 169.83 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . 171.8 173.11 38.39 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 1.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.602 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 1.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.752 ' O ' HG23 ' A' ' 3' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.473 0.178 . . . . 1.0 111.038 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -59.09 87.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 1' ' ' MET . 46.7 p -98.44 155.47 36.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 1.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -32.49 5.31 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.526 1.803 . . . . 1.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.2 -46.91 86.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 1.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -71.58 -45.37 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.543 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.827 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 11.5 mtm -53.62 -50.68 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -64.1 -48.41 76.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.34 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 1.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG13 HD21 ' A' ' 29' ' ' LEU . 4.4 t -68.78 -40.71 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.2 t -57.42 -42.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -52.43 50.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 1.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB3' HD11 ' A' ' 29' ' ' LEU . 6.8 ttm180 -56.79 -35.29 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 110.232 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.519 ' HA ' HD13 ' A' ' 29' ' ' LEU . 11.2 t80 -65.67 -54.1 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 1.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.814 HG11 ' HA ' ' A' ' 66' ' ' GLU . 80.9 t -58.46 -61.2 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.47 -45.12 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 1.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' HG12 ' A' ' 26' ' ' ILE . . . -60.19 -37.75 81.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.203 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.53 ' HA ' HD11 ' A' ' 26' ' ' ILE . 23.5 tp -62.97 -57.65 10.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.59 -23.88 59.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 1.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.09 46.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 86.32 46.05 5.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 1.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -98.65 91.83 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 0.796 . . . . 1.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.94 HD11 ' HB2' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -67.03 -69.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -35.07 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.372 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.15 -62.07 6.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 1.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.575 HG21 ' HE2' ' A' ' 55' ' ' TYR . 51.2 mt -53.22 -45.8 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 23' ' ' LEU . 59.5 t -60.41 -30.62 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.15 -21.07 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.26 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 10' ' ' VAL . 4.2 tt -56.71 -49.27 75.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 7.6 p90 -108.69 -175.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.627 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -44.84 167.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 1.01 ' O ' HG23 ' A' ' 48' ' ' THR . 1.7 m-20 -98.19 -10.82 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 1.0 109.395 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.11 15.27 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -56.85 160.7 3.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 1.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.556 HG22 ' CB ' ' A' ' 46' ' ' SER . 69.7 p -112.95 142.49 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' PRO . 3.1 t -116.41 153.53 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 1.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 3.3 tm-20 -159.49 60.17 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -129.65 134.87 26.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.378 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.609 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -75.08 -69.12 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.065 -2.473 . . . . 1.0 111.017 0.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.868 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -156.78 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.283 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 123.87 0.09 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.401 1.063 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 85.54 -172.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 109.989 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' SER . 10.7 pt-20 42.4 81.49 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 1.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.04 154.1 42.08 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.451 1.764 . . . . 1.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -104.37 105.67 15.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.556 ' CB ' HG22 ' A' ' 35' ' ' THR . 11.6 p -110.11 166.65 10.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 91.99 125.1 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.01 HG23 ' O ' ' A' ' 32' ' ' ASP . 9.9 p -41.29 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 1.0 110.411 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -66.09 -61.97 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -59.94 -50.16 74.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.511 HG23 ' CE1' ' A' ' 55' ' ' TYR . 3.6 mt -56.44 -31.02 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.735 ' HG3' HD12 ' A' ' 23' ' ' LEU . 10.2 ttt180 -74.76 -73.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 1.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -45.84 -30.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 15.8 t80 -72.81 -67.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' HE2' HG21 ' A' ' 26' ' ' ILE . 5.8 m-85 -47.72 -42.21 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 1.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -64.59 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -45.34 -26.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' ALA . 3.8 t -79.64 -43.04 23.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -62.18 -24.25 67.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -22.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HD2' ' A' ' 62' ' ' PRO . 9.6 tp -98.16 140.27 21.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.535 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.07 55.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.427 1.751 . . . . 1.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.044 HD11 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -93.41 144.95 24.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.518 1.136 . . . . 1.0 109.349 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.874 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -121.64 105.0 10.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.044 HG23 HD11 ' A' ' 63' ' ' LEU . 5.9 t -103.88 140.78 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.814 ' HA ' HG11 ' A' ' 15' ' ' VAL . 8.6 tt0 -172.95 147.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.408 1.068 . . . . 1.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 67' ' ' LEU . 2.3 pp -77.06 157.77 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.17 53.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 1.0 110.451 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -166.02 -98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.67 161.01 38.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 1.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.927 HG22 ' CB ' ' A' ' 80' ' ' PHE . 62.4 t -129.42 118.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -86.46 74.32 9.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.827 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -90.54 77.66 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 1.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.921 HG13 HG21 ' B' ' 40' ' ' VAL . 10.0 p -141.29 155.53 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.609 ' HB3' HG11 ' B' ' 40' ' ' VAL . . . 54.26 49.92 17.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 46.38 33.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 1.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' OE1' ' NE2' ' A' ' 100' ' ' HIS . 1.2 mt-10 -136.05 125.7 25.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 1.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.76 88.3 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 1.0 109.234 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . . . -101.95 84.51 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.927 ' CB ' HG22 ' A' ' 71' ' ' VAL . 38.8 p90 -107.07 165.07 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -111.65 130.95 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.781 ' CD2' HG13 ' A' ' 65' ' ' VAL . 44.8 p90 -136.23 160.78 37.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -101.52 165.15 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.691 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -149.21 113.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.85 122.28 40.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.618 ' CZ ' ' HB ' ' A' ' 93' ' ' THR . 2.9 p90 -140.38 134.04 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -104.11 120.63 41.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -95.3 -175.02 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 111.006 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 89' ' ' GLN . 4.6 pt20 -54.68 87.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.247 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 68.29 41.32 86.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 1.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.422 ' CG ' ' C ' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -154.84 162.59 41.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 1.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -146.67 124.69 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.618 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 17.2 m -135.04 154.69 51.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -132.65 113.16 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.75 HG22 ' CG1' ' A' ' 121' ' ' ILE . 79.1 t -98.08 148.79 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' B' ' 72' ' ' ARG . . . -126.4 68.89 67.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.684 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.2 Cg_endo -75.08 170.36 20.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 1.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.582 HD11 ' CZ ' ' B' ' 72' ' ' ARG . 67.4 mt -114.85 117.42 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.569 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.2 m-20 -89.12 125.82 35.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 77' ' ' GLU . 1.1 t-80 -121.52 104.62 9.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 1.0 109.651 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 101' ' ' PHE . 8.1 m-30 -99.69 162.52 12.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 1.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.435 HH21 ' CE1' ' A' ' 100' ' ' HIS . 5.3 ttm180 -127.58 127.2 43.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 1.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.77 ' CZ ' HG23 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -111.07 113.67 26.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.53 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.4 OUTLIER -169.71 -87.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.922 ' HA3' HG21 ' A' ' 110' ' ' VAL . . . -25.64 137.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.577 1.173 . . . . 1.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 42.48 41.84 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 1.0 109.251 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 104' ' ' ASN . . . 40.56 47.21 3.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 1.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.28 -176.57 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 1.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.77 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 21.2 t -65.53 129.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.922 HG21 ' HA3' ' A' ' 105' ' ' GLY . 52.4 t -134.8 10.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.0 146.29 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.525 ' HE2' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -159.19 103.65 1.65 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.067 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 9.2 mtt180 -117.31 173.63 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -142.77 159.79 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 1.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.408 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.8 OUTLIER -140.62 103.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.8 OUTLIER -114.82 125.17 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.684 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -91.14 -172.36 43.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -108.24 5.65 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 1.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 11.14 10.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 1.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.488 ' C ' HD12 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -120.04 35.68 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 1.0 109.329 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.75 ' CG1' HG22 ' A' ' 95' ' ' VAL . 5.1 mp -132.48 148.97 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 1.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.474 ' HB2' HG12 ' A' ' 94' ' ' VAL . 2.9 m80 -130.02 104.69 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.82 158.68 15.74 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 1.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.75 174.98 44.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 1.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 1.0 109.239 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.447 0.165 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 m120 72.36 54.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 38.4 p -95.32 155.58 38.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.37 2.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 1.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 2.8 mt-10 -66.11 -39.24 89.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.895 ' O ' HG23 ' B' ' 10' ' ' VAL . 59.8 t-80 -70.67 -48.12 56.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 1.0 109.607 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' B' ' 77' ' ' GLU . 62.9 mtm -59.9 -60.45 3.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -54.84 -42.48 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -61.71 -36.4 80.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 1.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 6' ' ' HIS . 48.9 t -66.38 -38.35 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.595 HG22 ' CE1' ' B' ' 80' ' ' PHE . 5.5 t -62.85 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.626 1.204 . . . . 1.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -37.79 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.76 -45.0 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.76 HG13 ' CG1' ' B' ' 65' ' ' VAL . 3.0 t -61.82 -46.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.1 -60.7 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 21' ' ' GLY . . . -49.6 -44.86 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.734 HD23 HG21 ' B' ' 65' ' ' VAL . 16.4 tp -54.42 -55.15 31.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -20.42 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.2 -16.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' B' ' 17' ' ' ALA . . . 67.46 31.19 76.13 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.103 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.464 ' C ' HD12 ' B' ' 26' ' ' ILE . 68.2 m-20 -82.53 73.1 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 0.76 . . . . 1.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.892 ' O ' HG23 ' B' ' 27' ' ' VAL . 30.8 mt -51.66 -34.74 39.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.39 -33.02 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 1.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.602 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 26.2 mt -72.83 -48.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 1.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 23' ' ' LEU . 71.4 t -63.1 -16.79 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.88 -26.87 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.59 -39.83 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.843 ' HE1' HD13 ' B' ' 51' ' ' ILE . 4.9 p90 -116.7 -174.67 2.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.663 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -50.27 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -100.9 -20.03 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -126.38 38.89 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -78.62 156.25 29.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.872 HG22 ' HB3' ' B' ' 46' ' ' SER . 24.6 p -104.32 124.84 49.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.804 HG13 ' HB2' ' B' ' 112' ' ' MET . 2.0 t -119.04 140.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HG3' ' CG ' ' B' ' 113' ' ' ARG . 9.0 pt-20 -134.13 102.39 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' B' ' 54' ' ' PHE . 1.0 OUTLIER -119.42 136.31 24.52 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.807 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -75.01 -46.58 0.36 Allowed 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 1.0 110.968 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.921 HG21 HG13 ' A' ' 74' ' ' VAL . 2.0 t -116.02 -170.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 1.0 109.365 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.797 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -50.12 -20.55 3.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.4 p -53.87 88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 1.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 41' ' ' GLY . 3.0 mm-40 81.5 78.76 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 1.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.538 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 3.4 mmt-85 -155.2 176.53 12.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.872 ' HB3' HG22 ' B' ' 35' ' ' THR . 77.4 p -170.31 156.07 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 1.0 110.002 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.36 153.67 30.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.747 HG22 ' CG1' ' B' ' 27' ' ' VAL . 39.8 p -59.8 -17.09 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 1.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -61.41 -33.13 73.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.843 HD13 ' HE1' ' B' ' 30' ' ' PHE . 9.4 mt -59.39 -62.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -62.05 -32.76 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.85 -43.13 98.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 1.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' B' ' 38' ' ' ASP . 0.3 OUTLIER -70.79 -60.08 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 1.0 111.078 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.953 ' O ' HD12 ' B' ' 59' ' ' LEU . 16.3 m-85 -54.46 -28.4 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 1.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -79.47 -50.08 11.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -48.87 -40.18 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 -49.91 15.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.962 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.953 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.4 OUTLIER -53.87 -19.78 4.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -40.02 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 1.0 109.228 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' B' ' 88' ' ' TYR . 15.8 tp -111.35 133.76 21.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.44 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.96 65.38 6.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 1.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 1.196 HD23 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.48 175.18 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.82 100.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.76 ' CG1' HG13 ' B' ' 15' ' ' VAL . 2.6 t -72.16 153.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -171.66 133.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.59 170.77 15.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.539 HG22 ' OG1' ' B' ' 83' ' ' THR . 0.1 OUTLIER -171.6 -45.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 110.412 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -71.45 -97.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.619 ' CD ' HH21 ' B' ' 72' ' ' ARG . 0.0 OUTLIER 176.68 -178.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 1.0 110.283 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.926 HG22 ' CB ' ' B' ' 80' ' ' PHE . 66.4 t -122.82 142.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.619 HH21 ' CD ' ' B' ' 70' ' ' GLU . 0.9 OUTLIER -118.91 88.73 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' B' ' 77' ' ' GLU . . . -88.47 137.6 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.868 HG11 HG21 ' A' ' 40' ' ' VAL . 1.6 t -148.07 -144.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.516 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -47.86 94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.3 OUTLIER 38.72 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 1.9 mm-40 -123.16 156.31 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.51 95.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 1.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -112.75 110.15 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 109.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.926 ' CB ' HG22 ' B' ' 71' ' ' VAL . 47.3 p90 -125.79 162.8 24.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.477 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -115.7 121.71 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 1.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' B' ' 97' ' ' PRO . 35.2 p90 -123.57 169.25 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.539 ' OG1' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -114.4 163.97 14.6 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 1.0 110.402 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.746 ' CG2' ' CE2' ' B' ' 86' ' ' PHE . 0.9 OUTLIER -152.64 128.92 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 1.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' B' ' 93' ' ' THR . 0.5 OUTLIER -98.87 98.41 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 1.0 110.019 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 1.196 ' CE1' HD23 ' B' ' 63' ' ' LEU . 44.0 m-85 -83.51 93.2 7.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 37.2 tt0 -91.82 103.13 15.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.782 ' HA ' HD11 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -91.74 -177.69 4.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 1.0 111.009 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -64.39 66.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 108.99 18.24 9.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 1.0 111.024 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.8 OUTLIER -131.08 155.03 47.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 0.751 . . . . 1.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 0.0 OUTLIER -148.02 98.82 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 1.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' B' ' 85' ' ' SER . 1.3 m -106.09 158.68 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 1.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.721 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.1 t -134.72 93.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.943 HG22 HG12 ' B' ' 121' ' ' ILE . 65.6 t -92.07 143.24 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -125.33 70.29 62.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.888 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.1 Cg_endo -75.04 160.58 39.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.539 1.81 . . . . 1.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.49 HD12 ' HD2' ' A' ' 72' ' ' ARG . 11.7 mt -112.66 115.11 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.591 ' OD2' ' CZ ' ' B' ' 101' ' ' PHE . 1.5 t70 -86.8 145.94 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.437 ' NE2' ' OE2' ' B' ' 77' ' ' GLU . 15.7 t-160 -139.64 111.66 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.591 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 17.8 m-85 -107.28 140.13 40.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.5 ' CZ ' ' OG ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -126.84 102.93 7.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 1.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' B' ' 109' ' ' VAL . 3.1 m-85 -73.36 147.45 44.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' B' ' 103' ' ' PHE . 3.8 m120 -163.92 -156.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' B' ' 106' ' ' ALA . . . 45.46 57.38 5.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 1.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 105' ' ' GLY . . . 76.36 -72.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 0.751 . . . . 1.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.86 74.74 0.19 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.149 . . . . 1.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -168.87 137.94 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 1.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' B' ' 103' ' ' PHE . 47.2 t -70.18 116.6 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' B' ' 31' ' ' ALA . 84.1 t -124.89 2.15 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 1.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' SER . . . . . 0.5 ' OG ' ' CZ ' ' B' ' 102' ' ' ARG . 0.6 OUTLIER -136.81 128.71 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 1.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.804 ' HB2' HG13 ' B' ' 36' ' ' VAL . 2.0 mpt? -141.01 134.87 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HG3' ' B' ' 37' ' ' GLU . 3.9 tmm_? -154.32 142.72 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -111.19 174.82 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.634 ' HA ' HG22 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -148.86 95.8 2.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -101.49 -174.33 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.622 ' O ' HD12 ' B' ' 121' ' ' ILE . . . -175.18 -176.44 43.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.447 1.092 . . . . 1.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -110.52 12.39 22.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 0.788 . . . . 1.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 10.27 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -129.99 17.62 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 1.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.943 HG12 HG22 ' B' ' 95' ' ' VAL . 13.2 mt -111.42 139.01 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 1.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.13 77.08 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 1.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.411 ' HA ' ' OG1' ' B' ' 93' ' ' THR . . . -79.69 124.72 28.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . -149.36 173.37 29.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 1.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.497 0.189 . . . . 1.0 111.002 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 103' ' ' PHE . 12.8 t-20 -122.25 179.49 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -142.38 154.86 64.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.774 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 18.2 Cg_endo -74.99 -28.48 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 1.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -47.65 81.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 1.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.686 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.5 m170 -72.24 -45.02 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 1.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.811 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.29 -51.75 63.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.82 -50.18 71.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 1.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.08 -43.26 51.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 6' ' ' HIS . 76.7 t -61.78 -50.78 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.638 HG22 ' CE1' ' A' ' 80' ' ' PHE . 10.8 t -52.45 -39.27 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.91 -54.77 37.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.207 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -39.19 72.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 1.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.25 -50.23 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -56.46 -55.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.182 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.56 43.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.037 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -60.16 -26.63 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' O ' HD21 ' A' ' 59' ' ' LEU . 9.4 tp -71.56 -53.35 14.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 1.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.6 -35.41 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 1.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -70.31 -30.8 67.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' HA2' HD22 ' A' ' 59' ' ' LEU . . . 80.91 47.24 6.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 1.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 1.037 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -108.07 87.36 2.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.747 . . . . 1.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.5 mt -63.39 -52.82 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -46.88 -47.0 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.65 -60.81 6.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.597 1.186 . . . . 1.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 22' ' ' ASP . 2.1 mt -42.36 -39.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 1.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.908 HG21 ' HG3' ' A' ' 52' ' ' ARG . 74.7 t -66.06 -49.0 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.52 -12.61 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.536 HD21 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -65.88 -44.43 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.932 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.6 p90 -115.83 -176.08 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.682 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -48.55 172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 1.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.674 ' O ' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -99.97 -11.0 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 1.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -121.15 9.57 10.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -52.5 162.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.456 HG23 ' CB ' ' A' ' 46' ' ' SER . 1.5 m -117.56 115.58 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 1.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.843 HG13 ' HG3' ' A' ' 112' ' ' MET . 3.5 t -109.2 139.78 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 109.195 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -137.9 112.16 8.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.681 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 2.6 t0 -155.22 140.01 11.96 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.681 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.07 -80.88 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.955 -2.519 . . . . 1.0 110.95 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.1 OUTLIER -155.78 151.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 1.0 109.246 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.601 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 160.37 -60.94 0.3 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.6 m 151.19 68.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 1.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.93 80.92 0.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 176.6 9.71 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 1.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.621 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 4.6 mtp180 -142.82 106.96 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' CB ' HG23 ' A' ' 35' ' ' THR . 0.4 OUTLIER -103.41 129.48 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.02 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 50' ' ' ALA . . . 112.62 122.86 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.459 1.1 . . . . 1.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -40.29 -28.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 1.0 110.401 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -63.4 -52.97 59.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -69.17 -36.5 77.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.932 HG21 ' CE1' ' A' ' 30' ' ' PHE . 36.3 mt -57.83 -49.81 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.908 ' HG3' HG21 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -62.68 -47.86 81.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 1.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -43.86 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 1.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -69.27 -68.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.0 110.956 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.617 ' O ' HD12 ' A' ' 59' ' ' LEU . 8.4 m-85 -44.19 -26.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.07 -57.62 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -56.57 -18.92 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t -80.13 -62.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -57.83 -17.68 17.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 1.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -23.99 2.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 1.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 63' ' ' LEU . 9.0 tp -87.83 122.44 70.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.785 HD22 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -155.37 -178.85 7.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.785 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -121.26 147.23 45.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.567 HG22 ' HB ' ' A' ' 84' ' ' VAL . 20.9 t -124.62 139.44 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -156.95 149.84 23.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 2.5 mt -85.07 178.49 7.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.489 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER 174.16 -33.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.544 ' NE2' ' HB2' ' A' ' 70' ' ' GLU . 14.2 tm0? -74.59 -78.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.544 ' HB2' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER 161.81 -173.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 1.0 110.254 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.925 HG22 ' CB ' ' A' ' 80' ' ' PHE . 57.6 t -127.72 148.53 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 71' ' ' VAL . 1.4 tpp180 -125.13 87.13 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 110.274 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.811 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -85.8 127.2 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.719 HG12 HD23 ' B' ' 115' ' ' LEU . 0.3 OUTLIER 179.92 158.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.68 ' HB2' ' HB ' ' B' ' 40' ' ' VAL . . . 51.17 54.85 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ALA . 8.5 m120 39.64 30.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 3.1 mt-10 -141.86 128.86 20.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.751 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -100.17 106.64 18.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.919 ' HB2' ' ND1' ' A' ' 100' ' ' HIS . . . -110.77 100.46 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.925 ' CB ' HG22 ' A' ' 71' ' ' VAL . 19.0 p90 -118.15 159.67 22.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 1.0 110.977 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.644 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . . . -123.47 138.26 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 3.0 p90 -140.81 -176.26 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.489 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -120.58 164.28 16.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.0 110.453 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.567 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -145.89 123.22 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.61 112.65 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 95' ' ' VAL . 4.4 p90 -142.44 137.6 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 1.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -116.23 130.12 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 1.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 90' ' ' GLY . 3.4 t80 -105.93 167.47 9.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 1.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 172.89 -32.4 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 1.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.47 -179.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 1.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.907 ' HB3' ' HB3' ' A' ' 125' ' ' ALA . 17.9 tttt -90.49 159.6 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 123' ' ' ALA . 13.0 m -157.52 144.03 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 1.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 1.4 p -126.65 113.85 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.106 HG22 HG23 ' A' ' 121' ' ' ILE . 97.7 t -97.34 158.27 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 1.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -129.35 75.73 79.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.58 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.01 169.45 22.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.774 HD13 ' NE ' ' B' ' 72' ' ' ARG . 2.2 mt -136.34 141.98 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -118.46 131.37 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.919 ' ND1' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -120.6 82.86 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 1.0 109.644 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 10.1 m-30 -68.41 147.02 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 1.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.37 102.71 8.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.321 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.737 ' CZ ' HG23 ' A' ' 109' ' ' VAL . 1.3 m-85 -91.26 124.68 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 1.5 m120 152.06 -92.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 109.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 30.47 -145.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.118 . . . . 1.0 111.001 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.47 -30.42 29.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 1.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . 163.28 93.84 0.1 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 1.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.726 ' O ' HG23 ' A' ' 110' ' ' VAL . 8.9 mttt 92.66 -172.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 0.764 . . . . 1.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.737 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 21.5 t -40.83 116.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 1.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 108' ' ' LYS . 29.9 t -136.38 13.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -174.01 160.74 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 110.026 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.843 ' HG3' HG13 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -166.67 124.82 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -112.21 120.92 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 1.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -99.56 162.25 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.467 ' HG ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -156.17 121.07 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 117' ' ' GLY . 0.5 OUTLIER -160.17 173.52 15.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.068 . . . . 1.0 111.044 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.606 ' HA2' HD11 ' A' ' 121' ' ' ILE . . . 80.75 177.84 51.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 1.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.813 ' HB2' HG23 ' B' ' 74' ' ' VAL . 3.2 mt-10 61.79 63.1 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.603 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 96.59 -23.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.429 ' HB2' ' N ' ' A' ' 117' ' ' GLY . 1.9 m-20 -69.42 -9.33 53.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 1.106 HG23 HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -98.73 139.45 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 123' ' ' ALA . 88.0 m-70 -135.17 92.98 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 1.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.761 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -49.14 176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' ALA . . . 168.88 172.78 36.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.907 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 1.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.534 0.207 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.62 113.66 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -126.59 155.53 74.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -21.51 15.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 41.0 tp10 -68.18 -47.72 67.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' B' ' 105' ' ' GLY . 4.6 t-160 -75.0 -42.53 57.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 1.0 109.632 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.467 ' HA ' ' CZ ' ' B' ' 103' ' ' PHE . 0.1 OUTLIER -61.24 -56.55 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -62.4 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 1.0 110.475 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -54.11 -41.24 68.1 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.417 1.073 . . . . 1.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.17 -51.81 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.65 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 2.5 t -51.56 -43.15 31.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -62.59 -46.35 88.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -40.31 85.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.26 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -63.37 -45.38 91.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.87 -52.49 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.639 ' HB1' ' OD1' ' B' ' 22' ' ' ASP . . . -43.35 -37.98 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.624 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.2 tp -64.65 -51.6 61.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 1.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.36 -49.66 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.44 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.62 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 73.79 47.59 19.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 1.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.639 ' OD1' ' HB1' ' B' ' 17' ' ' ALA . 4.5 p30 -96.67 106.92 19.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 1.0 109.228 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.809 HD12 ' HG3' ' B' ' 52' ' ' ARG . 0.1 OUTLIER -73.64 -58.51 3.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.0 -32.33 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 1.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -72.27 -70.15 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.624 HD11 ' HA ' ' B' ' 18' ' ' LEU . 7.7 mt -45.02 -36.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.766 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.61 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 14.8 t -71.02 -41.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 1.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.59 -10.55 59.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -63.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.61 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 43.1 p90 -90.04 -176.14 4.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -56.53 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.642 ' O ' HG22 ' B' ' 48' ' ' THR . 0.3 OUTLIER -110.23 -14.42 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.401 1.063 . . . . 1.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -115.58 4.49 14.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -51.5 175.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.841 HG22 ' CB ' ' B' ' 46' ' ' SER . 71.7 p -131.79 137.28 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 1.0 110.378 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' B' ' 54' ' ' PHE . 21.2 t -110.89 147.56 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 1.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 3.1 mt-10 -140.52 94.54 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.563 ' CG ' ' HB3' ' B' ' 114' ' ' ALA . 5.3 m-20 -141.88 131.01 12.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.485 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.04 -68.83 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.994 -2.502 . . . . 1.0 110.962 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.68 ' HB ' ' HB2' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -150.48 143.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 1.0 109.349 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.8 26.09 2.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 1.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 22.8 t -106.37 50.28 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 1.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.402 ' HB3' ' NH2' ' B' ' 45' ' ' ARG . 1.0 OUTLIER 53.15 92.82 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 110.276 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.464 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -74.96 143.84 29.69 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 35' ' ' THR . 6.9 mmp_? -97.03 155.15 16.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.841 ' CB ' HG22 ' B' ' 35' ' ' THR . 51.5 p -138.84 104.26 5.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 1.0 110.053 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.51 141.35 4.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.642 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -58.91 -15.52 13.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 1.0 110.38 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.73 -66.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.91 -26.3 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.708 HG12 HG23 ' B' ' 36' ' ' VAL . 10.8 mt -72.19 -42.18 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 1.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.809 ' HG3' HD12 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -64.06 -46.24 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.83 -38.26 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.974 ' CE2' HG11 ' B' ' 36' ' ' VAL . 4.5 t80 -66.24 -49.78 66.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.508 ' CE2' HG23 ' B' ' 51' ' ' ILE . 3.9 m-85 -59.33 -59.37 5.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -51.0 -52.21 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' B' ' 60' ' ' LYS . 25.9 t-20 -54.05 -37.2 63.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -65.44 -59.76 3.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.949 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.62 HD22 ' HA2' ' B' ' 21' ' ' GLY . 1.2 mt -57.09 -18.69 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 3.6 ttpp -44.77 -26.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.724 HD23 HD23 ' B' ' 63' ' ' LEU . 11.3 tp -87.3 127.78 57.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 1.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 60.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 1.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.724 HD23 HD23 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -107.35 -176.68 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 84' ' ' VAL . . . -137.22 159.22 42.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.677 HG13 ' CD2' ' B' ' 82' ' ' PHE . 53.8 t -133.2 147.04 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -157.9 130.95 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.658 HD11 ' HD2' ' B' ' 80' ' ' PHE . 1.7 mm? -71.1 131.71 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.4 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 2.8 t -142.76 14.95 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.66 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 7.4 mp0 -140.15 -172.3 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.49 171.82 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.937 HG22 ' CB ' ' B' ' 80' ' ' PHE . 58.3 t -127.24 109.04 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 1.007 ' NH2' HG21 ' B' ' 98' ' ' ILE . 9.9 mtm180 -69.43 59.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' B' ' 77' ' ' GLU . . . -83.14 91.05 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 1.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -160.6 152.97 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 55.0 58.81 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 1.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 76' ' ' ASN . 0.3 OUTLIER 44.33 25.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 1.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' B' ' 73' ' ' ALA . 1.5 tt0 -122.84 159.16 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.524 ' HB1' HG21 ' B' ' 11' ' ' VAL . . . -146.85 87.72 1.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.818 ' HB3' ' HB2' ' B' ' 72' ' ' ARG . . . -105.38 85.85 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.937 ' CB ' HG22 ' B' ' 71' ' ' VAL . 42.4 p90 -105.02 157.87 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.66 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -109.04 136.58 48.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.677 ' CD2' HG13 ' B' ' 65' ' ' VAL . 45.8 p90 -142.11 165.32 27.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.4 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.1 OUTLIER -104.76 156.56 17.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 110.431 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.52 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.6 OUTLIER -134.43 125.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.246 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.9 m -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' B' ' 95' ' ' VAL . 0.5 OUTLIER -161.49 146.97 13.76 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 1.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.54 133.84 55.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -104.78 171.39 7.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 1.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -63.81 71.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 1.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 173.45 -32.41 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.671 ' CD ' ' HB1' ' B' ' 123' ' ' ALA . 0.8 OUTLIER 166.19 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 1.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.537 ' HG3' ' HB3' ' B' ' 125' ' ' ALA . 15.5 mttp -80.05 156.21 27.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 27.0 m -157.13 149.15 22.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.406 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -129.47 119.14 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.686 HG22 HG12 ' B' ' 121' ' ' ILE . 40.8 t -99.48 166.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 1.037 ' HB3' ' ND2' ' B' ' 120' ' ' ASN . . . -140.15 70.66 34.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.567 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 166.69 28.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.787 . . . . 1.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 1.007 HG21 ' NH2' ' B' ' 72' ' ' ARG . 17.2 mt -116.12 115.55 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.669 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.5 m-20 -85.38 119.18 25.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -119.43 109.35 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.617 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 101' ' ' PHE . 6.2 m-30 -116.05 132.22 56.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 1.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -110.98 103.92 12.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.92 ' CB ' HG22 ' B' ' 109' ' ' VAL . 2.6 p90 -144.72 160.11 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 1.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -86.74 138.45 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.272 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 107' ' ' GLY . . . -38.3 -49.28 2.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 1.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -39.28 -29.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 1.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' B' ' 105' ' ' GLY . . . 109.98 48.86 0.75 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 1.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' B' ' 103' ' ' PHE . 15.3 mttp -124.09 110.11 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 1.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.92 HG22 ' CB ' ' B' ' 103' ' ' PHE . 2.6 t -112.81 117.04 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.546 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 95.7 t -122.12 -5.07 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -134.14 137.67 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 1.0 109.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.599 ' HE2' ' CD1' ' B' ' 30' ' ' PHE . 1.6 mtt -151.16 136.03 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -146.67 170.36 17.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.563 ' HB3' ' CG ' ' B' ' 38' ' ' ASP . . . -148.32 97.11 2.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.719 HD23 HG12 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -72.98 97.03 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 1.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' B' ' 117' ' ' GLY . 0.9 OUTLIER -116.63 114.37 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' A' ' 74' ' ' VAL . . . -99.32 173.26 26.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' B' ' 118' ' ' GLU . 7.0 tt0 -97.63 23.13 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 1.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' LYS . . . . . 0.412 ' C ' ' NH1' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -123.33 15.78 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 1.037 ' ND2' ' HB3' ' B' ' 96' ' ' ALA . 0.1 OUTLIER -130.5 43.08 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.686 HG12 HG22 ' B' ' 95' ' ' VAL . 4.5 mt -129.49 140.66 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.42 ' HB2' HG12 ' B' ' 94' ' ' VAL . 5.5 m-70 -135.34 111.68 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.671 ' HB1' ' CD ' ' B' ' 91' ' ' ARG . . . -83.72 168.03 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.1 173.31 38.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.537 ' HB3' ' HG3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 1.0 109.318 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.533 0.206 . . . . 1.0 111.073 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -86.35 178.13 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.3 p -100.17 155.57 36.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 110.308 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 18.4 Cg_endo -75.01 -36.26 2.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 1.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.65 -44.42 96.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.955 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.1 t60 -68.83 -47.75 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 1.0 109.591 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.574 ' CB ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.33 -53.8 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -57.5 -47.32 82.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.435 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 6' ' ' HIS . 93.5 t -64.39 -42.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.768 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.0 t -57.94 -54.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.263 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -52.47 -44.89 65.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 1.0 110.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.12 98.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.68 -44.6 93.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' VAL . 95.5 t -61.05 -62.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.49 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 1.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.676 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -59.82 -32.31 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 1.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.93 -55.63 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -19.32 63.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.5 -15.48 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.89 39.31 97.35 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.56 1.163 . . . . 1.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.635 ' O ' HD12 ' A' ' 26' ' ' ILE . 10.1 m-20 -95.22 90.57 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 1.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 27' ' ' VAL . 15.2 mt -68.97 -43.58 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.29 -52.87 63.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.67 -61.54 6.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.71 HG22 ' HE2' ' A' ' 30' ' ' PHE . 36.3 mt -44.77 -36.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 23' ' ' LEU . 4.8 t -68.92 -43.14 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -69.65 -14.41 62.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 1.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.64 -67.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 1.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' HE2' HG22 ' A' ' 26' ' ' ILE . 24.1 p90 -87.38 -175.6 5.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 1.183 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -52.17 -176.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 1.016 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -106.42 -19.62 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 p30 -121.35 22.34 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -60.74 168.08 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.542 HG22 ' CB ' ' A' ' 46' ' ' SER . 69.6 p -119.35 110.23 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 1.0 110.446 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.656 HG23 ' CD1' ' A' ' 51' ' ' ILE . 48.9 t -89.68 139.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -137.92 66.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 1.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.919 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -136.79 131.92 18.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 1.0 109.343 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.618 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.98 -83.21 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.019 -2.492 . . . . 1.0 111.028 -0.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.1 OUTLIER -153.36 -173.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 1.0 109.377 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.47 29.92 1.99 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.2 p 47.68 54.31 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 1.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -144.15 62.91 10.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 1.0 110.236 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.98 161.72 38.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 1.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.591 ' HB2' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -142.54 134.1 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.542 ' CB ' HG22 ' A' ' 35' ' ' THR . 10.2 p -117.42 142.42 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.037 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.52 141.29 10.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 1.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.016 HG23 ' O ' ' A' ' 32' ' ' ASP . 4.1 p -58.25 -16.31 13.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 1.0 110.409 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.87 -67.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 1.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 45' ' ' ARG . . . -61.63 -25.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.656 ' CD1' HG23 ' A' ' 36' ' ' VAL . 3.7 mt -69.57 -68.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.511 ' HG3' HD22 ' A' ' 23' ' ' LEU . 24.3 ttp85 -55.67 -32.63 63.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.68 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 38' ' ' ASP . 5.2 t80 -56.07 -53.6 55.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.521 ' HE2' HG21 ' A' ' 36' ' ' VAL . 3.3 m-85 -48.7 -40.8 29.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 1.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.69 31.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -46.59 -40.49 12.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 1.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -52.18 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.452 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -54.67 -19.68 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -41.02 -29.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 109.355 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.538 ' O ' HD12 ' A' ' 63' ' ' LEU . 10.0 tp -92.09 112.43 54.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 1.0 109.368 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 53.65 3.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 1.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.813 HD22 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -90.06 -177.12 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.353 1.033 . . . . 1.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.813 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -119.82 146.75 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.672 HG22 ' HB ' ' A' ' 84' ' ' VAL . 42.5 t -131.8 139.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -153.92 158.7 41.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.28 158.22 21.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 1.0 109.243 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 15.2 t -174.95 34.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.552 1.158 . . . . 1.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.563 ' NE2' ' HB2' ' A' ' 70' ' ' GLU . 13.7 tm0? -149.7 -75.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HB2' ' NE2' ' A' ' 69' ' ' GLN . 0.5 OUTLIER 162.41 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 1.0 110.305 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.899 HG22 ' CB ' ' A' ' 80' ' ' PHE . 87.4 t -134.67 135.25 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -113.22 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.574 ' HB1' ' CB ' ' A' ' 7' ' ' MET . . . -89.58 109.16 20.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.697 ' CG1' HG21 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -163.25 161.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 1.0 109.365 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB2' ' HB ' ' B' ' 40' ' ' VAL . . . 57.49 50.56 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.2 OUTLIER 42.63 28.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 75' ' ' ALA . 6.9 pt-20 -145.11 142.35 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.639 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -104.63 122.26 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.731 ' HB3' HD22 ' B' ' 115' ' ' LEU . . . -127.92 103.23 7.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.899 ' CB ' HG22 ' A' ' 71' ' ' VAL . 29.8 p90 -122.36 173.44 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.826 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -133.65 137.84 45.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 6.4 p90 -144.17 -179.07 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 1.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.96 167.77 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 1.0 110.413 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.672 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -146.55 123.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.73 125.15 45.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 1.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.935 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.8 p90 -146.93 123.6 11.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -81.53 119.15 23.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -96.58 -173.91 2.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 1.0 110.989 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.46 92.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 1.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 51.01 53.57 26.38 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.525 1.14 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 90' ' ' GLY . 4.3 mtp85 -168.09 169.1 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.552 0.795 . . . . 1.0 110.27 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 125' ' ' ALA . 0.8 OUTLIER -129.32 116.86 19.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 1.0 109.32 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.55 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 38.8 m -118.5 142.44 47.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 110.362 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 84' ' ' VAL . 1.0 OUTLIER -126.4 117.84 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.031 HG22 HG23 ' A' ' 121' ' ' ILE . 90.7 t -100.42 163.63 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 1.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.471 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -133.26 76.84 67.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.07 156.88 42.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.435 1.755 . . . . 1.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.902 HG21 ' NH2' ' B' ' 72' ' ' ARG . 6.5 mt -119.66 120.97 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.657 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -95.09 139.97 30.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 1.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.544 ' C ' ' CD2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -156.25 106.54 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 1.1 p90 -134.48 154.07 51.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.443 ' HG2' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -118.01 139.89 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.719 ' HB3' HG22 ' A' ' 109' ' ' VAL . 3.6 p90 -149.35 164.07 35.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 1.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.581 ' O ' ' C ' ' A' ' 105' ' ' GLY . 2.8 t-20 -124.08 89.37 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 109.22 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 20.39 -109.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 1.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 107' ' ' GLY . . . -44.83 -62.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 0.75 . . . . 1.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -36.31 -41.69 0.53 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.507 1.13 . . . . 1.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER 87.47 -174.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.719 HG22 ' HB3' ' A' ' 103' ' ' PHE . 2.0 t -86.52 123.02 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.482 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 57.4 t -118.52 -0.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.98 127.37 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.699 ' HE2' ' CG ' ' A' ' 30' ' ' PHE . 1.6 mtt -143.2 138.66 29.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 2.1 ptm180 -144.39 140.63 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.919 ' HB3' ' HB3' ' A' ' 38' ' ' ASP . . . -139.92 136.22 33.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.694 HD22 HH11 ' B' ' 72' ' ' ARG . 6.2 mp -120.59 133.88 55.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.684 ' O ' HG21 ' B' ' 74' ' ' VAL . 0.5 OUTLIER -147.77 177.97 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.563 ' HA2' HD11 ' A' ' 121' ' ' ILE . . . 68.63 -177.61 26.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.635 ' HB2' HG23 ' B' ' 74' ' ' VAL . 0.3 OUTLIER 65.55 64.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 1.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 89.48 -17.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 1.0 109.266 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.45 HD22 ' HG3' ' B' ' 72' ' ' ARG . 4.8 m120 -73.85 -11.99 60.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 1.031 HG23 HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -94.82 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -134.44 89.98 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 1.0 109.564 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.426 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -64.64 159.44 21.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . 179.71 179.22 48.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.498 0.763 . . . . 1.0 109.211 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.54 0.21 . . . . 1.0 111.075 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' B' ' 76' ' ' ASN . 22.7 m-20 -139.19 60.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.4 p -96.25 155.36 38.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 1.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.89 3.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -66.03 -41.74 90.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 110.185 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.458 ' O ' HG23 ' B' ' 10' ' ' VAL . 1.0 OUTLIER -71.59 -44.38 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 109.575 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.586 ' HE3' ' HB1' ' B' ' 73' ' ' ALA . 34.3 mtm -59.37 -58.97 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -58.37 -49.82 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -52.73 -45.02 66.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.635 HG13 HD21 ' B' ' 29' ' ' LEU . 3.1 t -57.86 -47.14 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.735 HG22 ' CD2' ' B' ' 101' ' ' PHE . 18.9 t -55.63 -38.9 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -62.92 -60.34 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ttp-105 -52.52 -34.16 48.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -67.86 -56.37 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.71 -46.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 1.0 109.279 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.97 -60.32 3.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.493 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -50.29 -28.38 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 1.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.76 ' HA ' HD11 ' B' ' 26' ' ' ILE . 14.4 tp -71.58 -57.94 3.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 1.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.86 -17.22 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 1.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.72 -29.38 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.509 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 76.55 55.3 4.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 1.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' B' ' 22' ' ' ASP . 0.9 OUTLIER -112.65 66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 0.763 . . . . 1.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.505 ' O ' HG23 ' B' ' 27' ' ' VAL . 10.6 mt -43.85 -38.17 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -60.24 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.189 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.12 -59.63 10.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.76 HD11 ' HA ' ' B' ' 18' ' ' LEU . 48.9 mt -42.14 -37.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.452 0.736 . . . . 1.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.579 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.0 t -68.62 -49.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -62.03 -14.59 37.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 1.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.635 HD21 HG13 ' B' ' 10' ' ' VAL . 0.6 OUTLIER -59.78 -54.01 51.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 1.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' B' ' 51' ' ' ILE . 24.7 p90 -102.11 -178.82 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -51.95 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.982 ' O ' HG23 ' B' ' 48' ' ' THR . 3.4 t70 -103.03 -17.68 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 1.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.92 21.31 11.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.65 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -63.93 -178.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 1.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.637 HG22 ' HB2' ' B' ' 46' ' ' SER . 28.5 p -134.38 117.49 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 1.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.62 HG23 HG12 ' B' ' 51' ' ' ILE . 98.4 t -93.11 145.28 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 1.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 4.1 mp0 -128.07 65.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.596 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 0.2 OUTLIER -110.17 138.86 20.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 1.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.811 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.5 Cg_endo -74.99 -38.81 1.64 Allowed 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.996 -2.501 . . . . 1.0 111.019 -0.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.775 HG12 ' H ' ' B' ' 41' ' ' GLY . 2.2 t -128.36 -174.77 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.775 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -54.39 -18.11 9.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.447 1.092 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 7.2 t -82.19 50.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.4 mt-10 160.51 70.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.444 ' O ' ' NE ' ' B' ' 45' ' ' ARG . 18.6 Cg_endo -75.05 154.64 42.41 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.472 1.774 . . . . 1.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.894 ' HG3' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -151.86 96.57 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.637 ' HB2' HG22 ' B' ' 35' ' ' THR . 16.9 p -96.6 139.4 32.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 1.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.7 146.58 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 1.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.982 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.9 p -60.13 -14.61 17.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 1.0 110.401 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.71 -66.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.894 ' HB1' ' HG3' ' B' ' 45' ' ' ARG . . . -62.66 -32.25 73.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.669 HG21 ' CE1' ' B' ' 30' ' ' PHE . 25.1 mt -63.94 -66.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -56.85 -30.55 63.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 1.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.0 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 1.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 1.8 t80 -60.39 -54.68 42.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 1.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.463 ' OH ' ' CE ' ' B' ' 112' ' ' MET . 0.2 OUTLIER -46.83 -39.66 12.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 1.0 110.982 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -50.57 57.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.29 -19.02 53.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -81.43 -69.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.753 HD11 HD12 ' B' ' 18' ' ' LEU . 0.6 OUTLIER -56.03 -18.88 10.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 1.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.446 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.8 tp -91.44 135.74 27.66 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 1.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.446 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.06 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 1.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.6 178.32 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 1.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.83 104.4 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.8 HG13 ' CD2' ' B' ' 82' ' ' PHE . 4.1 t -84.29 142.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 1.0 109.197 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -159.98 138.08 10.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 1.0 110.339 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.547 HD23 ' O ' ' B' ' 81' ' ' ALA . 1.1 mt -75.11 141.11 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.464 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 2.2 t -155.99 23.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.484 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -134.39 -78.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.47 170.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.893 HG22 ' CB ' ' B' ' 80' ' ' PHE . 89.3 t -119.1 136.53 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.902 ' NH2' HG21 ' A' ' 98' ' ' ILE . 6.8 ttm180 -111.2 92.52 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.889 ' O ' HG23 ' B' ' 74' ' ' VAL . . . -93.74 127.82 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 109.374 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 73' ' ' ALA . 2.1 t -170.54 146.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.303 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.549 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 49.05 67.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' B' ' 76' ' ' ASN . 3.2 p-10 38.78 30.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.567 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 2.4 tt0 -125.6 160.23 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -148.52 100.64 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.885 ' HB2' ' CE1' ' B' ' 100' ' ' HIS . . . -113.8 101.74 9.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.893 ' CB ' HG22 ' B' ' 71' ' ' VAL . 49.7 p90 -112.9 162.27 16.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 1.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.547 ' O ' HD23 ' B' ' 67' ' ' LEU . . . -117.24 130.95 56.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.8 ' CD2' HG13 ' B' ' 65' ' ' VAL . 46.8 p90 -138.53 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 1.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.464 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -106.18 164.52 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 1.0 110.44 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.499 HG13 ' CD ' ' B' ' 97' ' ' PRO . 0.7 OUTLIER -140.09 116.83 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 4.9 m -91.04 124.91 35.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 110.077 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.1 OUTLIER -167.69 146.01 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 111.021 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -112.09 132.25 54.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.514 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -102.61 171.14 7.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 110.966 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -63.73 70.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 173.52 -32.85 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.425 1.078 . . . . 1.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 166.82 -179.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 0.818 . . . . 1.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.402 ' C ' ' OG1' ' B' ' 93' ' ' THR . 0.0 OUTLIER -76.38 156.76 32.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 1.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.627 HG22 HG23 ' B' ' 121' ' ' ILE . 14.2 m -157.26 151.41 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 1.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.5 OUTLIER -136.22 122.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 1.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.738 HG22 HG13 ' B' ' 121' ' ' ILE . 31.5 t -102.95 165.82 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 1.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.647 ' HB3' ' ND2' ' B' ' 120' ' ' ASN . . . -137.19 68.47 55.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.535 ' HB3' ' CG ' ' B' ' 116' ' ' PHE . 18.4 Cg_endo -74.97 169.66 22.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.461 HG23 ' O ' ' B' ' 80' ' ' PHE . 37.8 mt -121.42 122.9 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -96.24 143.01 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.885 ' CE1' ' HB2' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -132.77 128.3 36.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.604 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.735 ' CD2' HG22 ' B' ' 11' ' ' VAL . 20.6 m-85 -117.38 144.79 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 1.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.793 ' HD3' HH21 ' B' ' 113' ' ' ARG . 5.8 mtp180 -127.9 116.08 19.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' B' ' 104' ' ' ASN . 23.0 m-85 -100.83 158.89 15.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 1.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' B' ' 103' ' ' PHE . 2.3 m-20 157.24 -179.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' B' ' 106' ' ' ALA . . . 42.09 94.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 1.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' B' ' 105' ' ' GLY . . . 67.89 38.88 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 1.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' B' ' 106' ' ' ALA . . . 37.62 46.76 1.61 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 1.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.37 154.72 46.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 0.742 . . . . 1.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.447 HG22 ' CD2' ' B' ' 103' ' ' PHE . 39.3 t -81.35 116.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 1.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' B' ' 31' ' ' ALA . 64.5 t -117.49 -7.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 1.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.1 134.88 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.478 ' HG2' HG13 ' B' ' 36' ' ' VAL . 5.3 ttp -146.77 142.4 27.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 1.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.793 HH21 ' HD3' ' B' ' 102' ' ' ARG . 2.8 mtt180 -155.1 162.92 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.811 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -136.09 179.88 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -152.92 99.28 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.364 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.535 ' CG ' ' HB3' ' B' ' 97' ' ' PRO . 6.3 m-85 -106.68 130.03 54.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.585 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -110.27 177.19 19.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 1.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -105.81 -14.56 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 1.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -99.47 17.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.767 ' C ' HD12 ' B' ' 121' ' ' ILE . 0.1 OUTLIER -123.35 39.14 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 1.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.767 HD12 ' C ' ' B' ' 120' ' ' ASN . 3.7 mp -130.29 153.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.495 ' HB2' HG12 ' B' ' 94' ' ' VAL . 3.2 m80 -142.46 111.82 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.619 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.53 164.7 17.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 1.0 109.389 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.39 42.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 1.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 1.0 109.318 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.478 0.18 . . . . 1.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -169.61 106.69 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 1.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -124.12 155.52 67.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 1.0 110.336 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -32.0 5.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 1.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.24 -53.55 42.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.199 . . . . 1.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -41.41 94.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.734 ' O ' HG23 ' A' ' 11' ' ' VAL . 8.3 mtm -57.95 -57.98 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -54.92 -42.11 71.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.89 95.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -65.9 -30.14 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.815 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 98.9 t -67.4 -44.63 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -46.51 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.78 90.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.0 110.252 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.612 ' HA ' HD13 ' A' ' 29' ' ' LEU . 29.5 t80 -60.7 -54.07 49.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 1.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.16 -56.38 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.61 -47.25 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -60.83 -41.69 96.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 1.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' HA ' HD11 ' A' ' 26' ' ' ILE . 58.5 tp -58.07 -53.88 53.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -60.99 -27.85 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -15.23 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 69.52 27.88 72.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 1.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.551 ' O ' HD12 ' A' ' 26' ' ' ILE . 13.6 t0 -84.21 85.55 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -62.96 -37.02 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -61.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -43.18 26.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.599 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 52.2 mt -65.93 -44.63 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.606 0.827 . . . . 1.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 23' ' ' LEU . 15.6 t -63.78 -20.35 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.44 -24.9 18.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -53.69 -42.07 67.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 1.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 3.7 p90 -114.57 178.23 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 1.0 111.062 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -45.48 169.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 1.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 1.026 ' O ' HG23 ' A' ' 48' ' ' THR . 1.4 m-20 -96.16 -17.11 21.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -120.17 32.22 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -80.51 175.67 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.768 HG22 ' CB ' ' A' ' 46' ' ' SER . 9.6 p -130.92 136.5 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 1.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.814 HG21 HG23 ' A' ' 51' ' ' ILE . 13.6 t -113.2 141.98 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -127.3 94.49 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -141.26 121.72 8.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 1.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -75.04 -80.01 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.948 -2.522 . . . . 1.0 110.998 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.95 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.2 OUTLIER -152.49 151.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . -168.61 -73.5 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.7 p 156.64 51.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 0.75 . . . . 1.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 42' ' ' SER . 0.1 OUTLIER 164.62 88.16 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 1.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.0 148.76 35.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 1.0 111.053 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.922 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -74.03 113.44 11.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 110.343 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.768 ' CB ' HG22 ' A' ' 35' ' ' THR . 78.3 p -99.4 141.92 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 1.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 123.85 5.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.437 1.085 . . . . 1.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.026 HG23 ' O ' ' A' ' 32' ' ' ASP . 7.7 p -41.37 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 1.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -55.62 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.922 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -63.85 -49.03 74.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.814 HG23 HG21 ' A' ' 36' ' ' VAL . 8.8 mt -51.22 -52.4 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 1.9 tmm_? -63.66 -34.98 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 1.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -50.17 69.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 1.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE1' ' HD2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -69.59 -61.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 111.029 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.748 ' HE1' HG11 ' A' ' 36' ' ' VAL . 11.2 m-85 -49.66 -22.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.684 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -80.85 -67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -50.65 -22.95 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 1.0 109.252 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m -80.0 -56.61 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.5 mt -55.99 -19.78 13.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -52.21 -22.01 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.6 139.86 21.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.52 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 1.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.942 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -94.38 132.59 38.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 1.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.771 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -109.06 103.85 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.68 HG23 HD11 ' A' ' 63' ' ' LEU . 2.2 t -94.0 147.13 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.74 137.63 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 81' ' ' ALA . 1.6 mt -67.57 156.33 37.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 1.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.549 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 1.2 t 179.68 51.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 68' ' ' THR . 5.1 mp0 -156.19 -85.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 1.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.446 ' CD ' ' NH1' ' A' ' 72' ' ' ARG . 3.2 pt-20 -171.1 168.03 6.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.491 1.12 . . . . 1.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.915 HG22 ' CB ' ' A' ' 80' ' ' PHE . 98.1 t -131.31 122.13 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.661 ' HD3' HD12 ' B' ' 98' ' ' ILE . 8.6 mpt_? -99.06 103.0 14.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.96 120.57 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 HG21 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -178.71 156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . 54.84 55.95 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER 39.05 30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.353 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' ALA . 4.9 mt-10 -138.7 123.91 19.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 1.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.699 ' HB2' ' SD ' ' A' ' 7' ' ' MET . . . -106.81 130.42 54.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.865 ' O ' HG13 ' A' ' 71' ' ' VAL . . . -124.25 165.97 16.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 1.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.915 ' CB ' HG22 ' A' ' 71' ' ' VAL . 11.6 p90 -174.52 150.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.752 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -107.16 119.52 39.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.186 . . . . 1.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.588 ' CD2' HG13 ' A' ' 65' ' ' VAL . 49.2 p90 -122.73 165.85 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -105.99 159.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.57 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -134.67 115.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.61 112.27 24.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 1.0 110.035 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.446 ' HE1' HG23 ' A' ' 95' ' ' VAL . 1.6 p90 -152.95 149.45 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -117.49 134.9 54.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 1.0 110.238 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -111.97 172.37 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 1.0 111.034 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -63.71 73.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 171.56 -31.65 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 1.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER 162.37 179.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 1.0 110.295 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.401 ' C ' ' OG1' ' A' ' 93' ' ' THR . 0.7 OUTLIER -82.2 157.82 23.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.493 HG23 ' HA ' ' A' ' 123' ' ' ALA . 10.1 m -156.94 144.84 19.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -127.81 114.86 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 121' ' ' ILE . 16.3 t -97.22 167.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.462 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -139.84 66.52 33.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.824 ' HA ' HH21 ' B' ' 72' ' ' ARG . 18.2 Cg_endo -75.07 163.82 34.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.547 1.814 . . . . 1.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.71 HG22 ' CE1' ' A' ' 100' ' ' HIS . 15.9 mt -112.04 148.67 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 4.8 m-20 -128.02 141.45 51.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.743 ' CE1' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -150.94 133.09 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.815 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -140.1 156.88 46.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 59.2 ttt180 -108.58 159.66 16.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 1.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 13.2 m-85 -125.75 152.04 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 105' ' ' GLY . 3.3 t-20 -118.69 179.0 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.675 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . -35.98 129.26 0.88 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 1.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 105' ' ' GLY . . . 83.17 16.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 1.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 51.62 57.58 11.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 1.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -115.21 122.34 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 1.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 23.7 t -75.55 120.94 26.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.561 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 74.1 t -118.82 -4.18 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 1.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.01 139.63 21.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 1.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.76 ' HG3' HG13 ' A' ' 36' ' ' VAL . 24.0 ptp -154.16 151.09 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -142.82 172.44 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . . . -147.07 107.32 4.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.796 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.6 OUTLIER -81.37 91.15 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.536 ' CE1' HG11 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -109.14 88.86 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 1.0 110.942 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.29 -170.87 37.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 121' ' ' ILE . 1.7 mp0 -116.9 44.48 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 1.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.45 ' HZ2' ' HB3' ' B' ' 73' ' ' ALA . 4.6 ptmt -141.57 15.07 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.492 ' HB2' ' CZ ' ' B' ' 72' ' ' ARG . 0.9 OUTLIER -131.61 40.91 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.637 HG23 HG22 ' A' ' 95' ' ' VAL . 2.2 mt -119.66 140.2 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 1.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -134.65 98.89 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 1.0 109.607 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -61.49 175.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 1.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.55 173.69 37.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 1.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 109.315 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.19 . . . . 1.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 175.42 124.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 1.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.795 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.7 OUTLIER -139.29 150.38 64.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 1.0 110.395 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.55 ' HB3' ' HB3' ' B' ' 73' ' ' ALA . 18.1 Cg_endo -75.07 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -46.55 86.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 1.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.795 ' HB2' HG23 ' B' ' 3' ' ' THR . 2.5 m80 -70.19 -48.65 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 1.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.526 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -50.9 -49.26 59.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -63.01 -51.34 67.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.82 -40.03 59.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 1.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' B' ' 29' ' ' LEU . 3.2 t -66.35 -40.17 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.845 ' O ' HG23 ' B' ' 15' ' ' VAL . 3.4 t -59.49 -46.69 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -55.67 31.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -55.94 -39.91 72.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' B' ' 29' ' ' LEU . 39.2 t80 -64.03 -45.44 88.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 1.132 HG21 ' CE2' ' B' ' 82' ' ' PHE . 60.7 t -63.23 -66.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.41 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.268 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.74 78.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.599 ' HA ' HD11 ' B' ' 26' ' ' ILE . 45.3 tp -53.31 -54.15 40.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -60.58 -30.76 70.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 1.0 109.219 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.79 -16.68 61.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 1.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 74.43 29.27 62.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.61 1.194 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.614 ' O ' HD12 ' B' ' 26' ' ' ILE . 15.5 t0 -88.24 82.24 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.772 ' O ' HG23 ' B' ' 27' ' ' VAL . 1.1 mt -61.78 -51.39 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 1.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -59.31 -62.04 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.72 -42.55 21.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 1.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.614 HD12 ' O ' ' B' ' 22' ' ' ASP . 38.2 mt -63.65 -41.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 0.702 . . . . 1.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.772 HG23 ' O ' ' B' ' 23' ' ' LEU . 79.6 t -65.09 -26.11 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.76 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -55.89 -44.2 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.4 p90 -113.28 -175.21 2.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 1.0 110.968 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.647 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -44.15 166.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.697 ' O ' HG23 ' B' ' 48' ' ' THR . 44.0 m-20 -89.33 -19.39 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 1.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -121.91 15.32 10.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.796 ' HA ' HG13 ' B' ' 110' ' ' VAL . . . -42.43 163.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.2 p -125.97 109.7 12.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.702 HG23 HG12 ' B' ' 51' ' ' ILE . 18.5 t -88.0 157.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 3.0 mt-10 -154.26 76.3 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -138.63 152.64 71.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.617 1.198 . . . . 1.0 109.299 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.63 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.047 -2.481 . . . . 1.0 110.983 0.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.817 HG21 HG11 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -164.2 -176.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.91 28.65 30.95 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.497 1.123 . . . . 1.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 99.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 0.721 . . . . 1.0 109.984 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.417 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 0.6 OUTLIER -161.18 63.57 1.76 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 153.65 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.779 . . . . 1.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' B' ' 54' ' ' PHE . 3.0 ptt180 -154.25 98.93 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -95.57 134.01 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 142.36 11.33 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.521 1.138 . . . . 1.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.697 HG23 ' O ' ' B' ' 32' ' ' ASP . 40.1 p -56.47 -17.28 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -69.7 -57.69 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' B' ' 45' ' ' ARG . . . -66.43 -38.11 86.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.702 HG12 HG23 ' B' ' 36' ' ' VAL . 59.1 mt -63.18 -65.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -38.17 64.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 1.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 3.8 mm-40 -55.29 -56.12 23.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 1.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.634 ' CG ' ' CZ ' ' B' ' 45' ' ' ARG . 7.6 t80 -67.25 -60.05 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.504 ' O ' HD12 ' B' ' 59' ' ' LEU . 9.7 m-85 -44.16 -30.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.38 -52.41 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -53.15 -29.7 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 -55.22 5.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.504 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.4 OUTLIER -55.15 -19.4 7.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 1.0 109.359 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.74 -28.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.974 HD11 ' O ' ' B' ' 87' ' ' GLU . 12.2 tp -105.4 138.83 19.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.457 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.99 54.73 3.73 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.6 1.842 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -79.1 -176.53 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 84' ' ' VAL . . . -143.03 156.38 44.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.458 1.099 . . . . 1.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -141.6 140.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -161.35 137.86 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.772 ' CD1' ' CZ ' ' B' ' 82' ' ' PHE . 0.8 OUTLIER -71.2 167.62 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.595 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.4 OUTLIER -165.45 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 1.0 110.365 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 3.9 mp0 -77.24 -84.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.453 ' CD ' ' ND2' ' A' ' 120' ' ' ASN . 0.1 OUTLIER 176.48 -177.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 110.296 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' B' ' 80' ' ' PHE . 21.8 t -129.03 123.93 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.824 HH21 ' HA ' ' A' ' 97' ' ' PRO . 3.7 mmt180 -102.24 95.47 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' B' ' 4' ' ' PRO . . . -95.38 121.1 36.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 0.4 OUTLIER -177.33 167.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.95 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 51.51 45.77 27.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 49.32 37.96 12.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 1.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.796 ' OE2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -147.52 169.53 19.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.499 ' O ' ' CE1' ' B' ' 80' ' ' PHE . . . -141.79 105.7 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.45 103.95 13.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' B' ' 71' ' ' VAL . 0.1 OUTLIER -116.54 163.56 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -118.54 108.95 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 1.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 1.132 ' CE2' HG21 ' B' ' 15' ' ' VAL . 18.3 m-85 -107.88 168.68 9.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.595 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -120.67 121.76 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 1.0 110.361 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.694 ' CG2' ' CE1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -99.35 167.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' B' ' 93' ' ' THR . 2.4 t -152.03 110.94 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.694 ' CE1' ' CG2' ' B' ' 84' ' ' VAL . 7.3 m-30 -101.35 172.86 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.107 . . . . 1.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.974 ' O ' HD11 ' B' ' 61' ' ' LEU . 22.2 tt0 -153.76 148.51 26.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' B' ' 91' ' ' ARG . 0.1 OUTLIER 175.02 134.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.99 48.31 21.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.414 1.071 . . . . 1.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.96 11.44 31.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 1.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.5 OUTLIER -95.91 145.56 25.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' B' ' 125' ' ' ALA . 8.4 pttm -131.42 121.89 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' B' ' 123' ' ' ALA . 1.2 m -124.02 155.45 38.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 1.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 84' ' ' VAL . 0.3 OUTLIER -141.04 126.5 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 1.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.722 HG13 HG13 ' B' ' 121' ' ' ILE . 13.4 t -113.22 170.12 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.66 63.66 21.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.538 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.6 Cg_endo -74.93 167.56 26.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 1.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.661 HD12 ' HD3' ' A' ' 72' ' ' ARG . 1.9 mt -118.99 125.21 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 1.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.651 ' CB ' ' CE2' ' B' ' 80' ' ' PHE . 11.8 m-20 -95.92 125.04 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.604 ' CD2' ' OE1' ' B' ' 77' ' ' GLU . 1.9 t-80 -116.48 99.43 7.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.565 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.406 ' CD2' ' HZ ' ' B' ' 80' ' ' PHE . 10.6 m-30 -89.75 165.57 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 1.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.92 120.76 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.94 ' CE2' HG22 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -97.01 132.79 42.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 111.034 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -140.44 178.81 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.14 -170.25 20.79 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 1.0 111.062 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.1 10.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 1.0 109.24 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.477 ' O ' ' CD ' ' B' ' 108' ' ' LYS . . . 163.99 71.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 1.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' B' ' 107' ' ' GLY . 6.9 mmmt -142.2 147.18 36.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 0.736 . . . . 1.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.94 HG22 ' CE2' ' B' ' 103' ' ' PHE . 12.9 t -90.44 120.54 39.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.796 HG13 ' HA ' ' B' ' 34' ' ' ALA . 91.4 t -120.59 -75.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 134.83 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 1.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.45 ' O ' ' N ' ' B' ' 37' ' ' GLU . 0.6 OUTLIER -160.69 132.94 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -140.34 174.97 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 1.0 110.339 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . . . -132.9 170.27 15.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.514 ' CD2' HG12 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -147.52 105.28 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.504 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 5.9 m-85 -100.67 -175.96 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.48 ' O ' HD12 ' B' ' 121' ' ' ILE . . . -168.13 174.72 43.0 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 1.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -27.28 17.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 0.701 . . . . 1.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.7 15.67 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' B' ' 95' ' ' VAL . 24.0 m120 -124.61 10.93 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.722 HG13 HG13 ' B' ' 95' ' ' VAL . 16.1 mt -117.66 139.41 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -136.83 98.75 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 1.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.479 ' CB ' ' OG1' ' B' ' 93' ' ' THR . . . -96.75 145.88 25.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.389 1.056 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.47 179.19 43.39 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 1.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.578 ' HB3' ' HG2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.571 0.806 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.48 0.181 . . . . 1.0 111.084 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.454 ' ND2' ' CD2' ' A' ' 103' ' ' PHE . 10.2 t-20 -156.09 168.95 25.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.747 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.4 OUTLIER -140.69 156.15 69.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.419 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.474 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.1 Cg_endo -75.0 -40.61 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 1.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -63.39 -28.36 69.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.747 ' HB2' HG23 ' A' ' 3' ' ' THR . 10.6 t-160 -77.82 -66.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.629 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.779 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 1.0 OUTLIER -51.04 -41.07 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 73' ' ' ALA . 75.4 m -69.45 -45.02 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -59.04 -36.72 75.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 29' ' ' LEU . 25.5 t -69.53 -39.78 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.77 HG21 ' CE1' ' A' ' 80' ' ' PHE . 3.1 t -58.47 -42.36 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 1.0 109.275 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 1.0 110.33 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.13 -32.66 10.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' OH ' ' CE1' ' A' ' 55' ' ' TYR . 18.8 t80 -63.89 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 1.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.021 HG21 ' CZ ' ' A' ' 82' ' ' PHE . 2.7 t -45.85 -45.3 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.8 78.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.894 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -62.35 -33.61 75.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HA ' HD11 ' A' ' 26' ' ' ILE . 14.4 tp -65.14 -53.12 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -32.51 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.2 66.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 83.91 40.78 8.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.894 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 7.0 p30 -107.72 75.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 1.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 6.6 mt -55.52 -19.28 9.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 1.0 109.345 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -67.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 1.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -28.72 33.01 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.718 HG22 ' HE1' ' A' ' 30' ' ' PHE . 16.2 mt -76.59 -49.36 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.736 HG13 ' CG2' ' A' ' 48' ' ' THR . 11.0 t -65.68 -15.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.72 -25.22 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 10' ' ' VAL . 1.4 mt -58.63 -62.16 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 1.0 109.256 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.718 ' HE1' HG22 ' A' ' 26' ' ' ILE . 50.3 p90 -89.31 -177.87 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.598 1.186 . . . . 1.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -55.87 -178.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -112.54 -15.64 13.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.62 17.77 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 1.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -67.5 176.11 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' CB ' ' A' ' 46' ' ' SER . 30.3 p -136.61 128.84 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.75 HG23 HG12 ' A' ' 51' ' ' ILE . 38.4 t -99.85 153.43 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 112' ' ' MET . 4.5 mm-40 -141.65 72.43 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 1.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.537 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -137.12 146.18 53.4 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 1.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.662 ' C ' HG22 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.05 -66.5 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 -2.521 . . . . 1.0 111.039 -0.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -166.3 -174.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 1.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.64 43.67 66.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.574 1.171 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.96 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 1.0 109.955 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 178.98 62.65 0.1 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.04 156.28 42.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 1.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.64 ' HD2' ' HB1' ' A' ' 50' ' ' ALA . 33.7 mmt180 -149.71 83.81 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' CB ' HG22 ' A' ' 35' ' ' THR . 83.6 p -92.79 137.51 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 110.083 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.29 156.99 27.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.46 1.1 . . . . 1.0 111.036 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.736 ' CG2' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -72.64 -17.06 61.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.745 . . . . 1.0 110.416 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.54 13.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 45' ' ' ARG . . . -73.26 -40.12 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 1.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.75 HG12 HG23 ' A' ' 36' ' ' VAL . 16.7 mt -61.28 -40.36 85.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 1.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' THR . 1.4 tmm_? -76.52 -64.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.79 -35.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -77.3 -66.55 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.546 ' CE2' HG23 ' A' ' 51' ' ' ILE . 1.3 m-85 -42.66 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.83 -50.54 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -52.83 -25.05 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -86.8 -50.05 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.447 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -58.74 -16.92 18.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -23.41 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.778 HD12 ' HD2' ' A' ' 62' ' ' PRO . 12.7 tp -91.49 134.15 29.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.778 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 70.99 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 1.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -116.6 166.74 11.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.96 116.43 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 1.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.564 HG22 HG12 ' A' ' 84' ' ' VAL . 92.9 t -101.85 137.53 29.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.001 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -65.36 161.92 18.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.61 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -174.08 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 110.399 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -65.6 -82.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' GLN . 1.5 mt-10 -178.36 175.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 1.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.722 HG22 ' HB3' ' A' ' 80' ' ' PHE . 18.9 t -137.13 99.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.518 ' CZ ' HD11 ' B' ' 98' ' ' ILE . 12.0 mmt85 -77.27 81.0 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 1.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.779 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -89.96 117.53 28.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -177.42 150.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.84 50.26 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 1.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 51.34 21.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.24 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.468 ' O ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -120.05 159.91 23.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.0 110.346 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -148.71 95.65 2.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 109.277 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' B' ' 115' ' ' LEU . . . -102.34 97.95 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.77 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -112.89 163.63 14.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 1.0 111.009 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . . . -127.0 114.94 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 1.021 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 30.7 m-85 -105.8 172.86 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.564 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -124.31 118.59 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.644 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.9 OUTLIER -96.78 130.68 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.517 ' HA ' HG23 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -110.96 124.68 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 1.0 109.988 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -163.41 152.26 14.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -115.78 131.76 56.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 1.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -107.26 169.89 8.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 1.0 110.988 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.82 73.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 171.31 -31.66 0.13 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 1.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.13 -179.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 1.0 110.361 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -85.42 154.76 21.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 1.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.725 HG22 HG23 ' A' ' 121' ' ' ILE . 25.7 m -157.17 144.9 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 1.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.8 OUTLIER -130.29 114.17 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.991 HG22 ' CG1' ' A' ' 121' ' ' ILE . 93.8 t -93.66 166.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -137.97 75.53 41.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.546 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 156.52 42.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.634 HG22 ' NE2' ' A' ' 100' ' ' HIS . 3.4 mt -115.88 121.35 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 4.6 m-20 -100.47 126.62 46.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.634 ' NE2' HG22 ' A' ' 98' ' ' ILE . 44.0 m170 -111.21 94.64 5.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 1.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 112' ' ' MET . 3.3 m-30 -81.57 158.08 24.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -138.26 93.14 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 1.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -67.06 147.92 52.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 1.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.467 ' O ' ' C ' ' A' ' 105' ' ' GLY . 5.3 m-20 -120.8 93.34 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 32.67 -133.16 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.554 1.159 . . . . 1.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.57 -15.57 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 1.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -60.71 -29.73 70.75 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.479 1.112 . . . . 1.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.3 OUTLIER 87.9 -175.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 0.735 . . . . 1.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.532 HG22 ' CD1' ' A' ' 103' ' ' PHE . 21.3 t -59.54 115.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 63.5 t -121.34 -4.57 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 132.23 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 1.0 109.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.542 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.4 mtm -143.03 132.01 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 1.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -126.88 167.51 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -139.83 164.75 29.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.522 HD23 HG12 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -152.1 102.0 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -115.8 131.03 57.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.727 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -119.39 -173.19 15.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 1.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.609 ' HA ' HD13 ' A' ' 121' ' ' ILE . 12.1 tp10 -101.67 -7.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 1.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.9 16.7 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 0.0 OUTLIER -132.41 42.58 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.372 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.991 ' CG1' HG22 ' A' ' 95' ' ' VAL . 4.9 mp -134.6 142.43 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.43 ' HB2' HG12 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -132.64 107.7 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 1.0 109.651 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.14 157.53 21.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.64 173.47 46.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 1.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 109.305 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ttm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.472 0.177 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.92 137.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -95.39 155.46 38.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 1.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -63.0 -45.53 91.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.34 -44.8 74.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.648 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.708 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 16.8 mtm -55.77 -54.71 41.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.427 HG23 HG11 ' B' ' 71' ' ' VAL . 4.2 m -58.37 -45.75 87.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 1.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.4 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.81 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.72 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 5.0 t -62.13 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.85 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.25 -39.83 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.452 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 10.3 t80 -59.88 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 1.0 111.057 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 11' ' ' VAL . 71.3 t -58.32 -60.74 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.28 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.575 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -64.62 -41.15 96.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' B' ' 15' ' ' VAL . 7.9 tp -62.77 -55.34 27.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.66 -24.0 66.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.62 -16.03 56.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.465 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . 66.08 38.69 94.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.555 1.159 . . . . 1.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.78 ' O ' HD12 ' B' ' 26' ' ' ILE . 65.2 m-20 -97.97 82.64 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.802 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.5 OUTLIER -54.17 -55.97 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -59.5 -26.81 65.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -71.04 -70.3 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.78 HD12 ' O ' ' B' ' 22' ' ' ASP . 2.6 mp -47.84 -32.1 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 1.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.802 HG23 ' O ' ' B' ' 23' ' ' LEU . 88.7 t -75.02 -36.6 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -66.77 -69.16 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 31.9 p90 -83.06 -175.88 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -49.26 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.827 ' O ' HG23 ' B' ' 48' ' ' THR . 1.2 p30 -103.16 -10.18 19.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -124.64 14.87 8.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 1.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.903 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -60.51 169.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 1.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.585 HG22 ' CB ' ' B' ' 46' ' ' SER . 77.5 p -121.63 133.75 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 1.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.759 HG23 HG12 ' B' ' 51' ' ' ILE . 27.0 t -106.73 150.54 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 2.0 tm-20 -150.36 74.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 1.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -142.47 147.13 41.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.601 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -59.23 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.995 -2.502 . . . . 1.0 111.002 -0.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.601 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -162.04 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.91 19.45 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p 60.49 -178.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 109.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 70.69 64.94 0.44 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.455 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.1 Cg_endo -75.05 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 1.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' B' ' 35' ' ' THR . 11.3 mtp180 -140.15 161.34 37.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 1.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.585 ' CB ' HG22 ' B' ' 35' ' ' THR . 13.5 p -143.46 143.09 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 1.0 110.05 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 148.34 23.74 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.827 HG23 ' O ' ' B' ' 32' ' ' ASP . 31.0 p -63.9 -14.08 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.754 . . . . 1.0 110.434 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.71 -65.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.75 78.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.903 HD11 ' O ' ' B' ' 34' ' ' ALA . 92.3 mt -56.82 -53.17 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 1.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.739 ' HG3' HD12 ' B' ' 23' ' ' LEU . 39.9 ttp85 -58.52 -46.14 87.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 1.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.33 -35.68 74.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -62.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.676 ' CE2' HG21 ' B' ' 26' ' ' ILE . 5.2 m-85 -52.16 -51.27 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.765 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -56.22 -58.47 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 2.6 m120 -43.32 -39.84 3.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 1.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -45.39 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 1.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.546 ' CD1' ' CD2' ' B' ' 23' ' ' LEU . 0.3 OUTLIER -58.37 -21.09 48.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 1.0 109.373 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -44.78 -26.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' B' ' 59' ' ' LEU . 13.3 tp -102.21 116.78 62.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.765 . . . . 1.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.695 HD13 HG23 ' B' ' 65' ' ' VAL . 0.2 OUTLIER -124.22 -176.39 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -122.97 87.75 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.801 HG22 ' HB ' ' B' ' 84' ' ' VAL . 76.8 t -88.03 138.24 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.627 ' HA ' HG11 ' B' ' 15' ' ' VAL . 10.3 tt0 -171.73 140.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 1.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.503 ' C ' HD12 ' B' ' 67' ' ' LEU . 1.2 pp -69.95 151.11 45.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 1.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.47 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.449 HE22 ' HB1' ' B' ' 96' ' ' ALA . 17.9 mt-30 -143.63 -82.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.414 ' HB3' ' NH1' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -162.17 151.59 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.927 HG22 ' HB2' ' B' ' 80' ' ' PHE . 60.8 t -130.24 103.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.423 ' CG ' ' ND2' ' A' ' 120' ' ' ASN . 1.6 mpt_? -93.51 97.8 10.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.708 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -93.83 115.91 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.548 HG22 ' H ' ' B' ' 75' ' ' ALA . 0.7 OUTLIER -174.75 -175.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 1.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.603 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . 42.01 47.25 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 76' ' ' ASN . 0.4 OUTLIER 43.05 53.94 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.501 ' OE1' ' CD2' ' A' ' 115' ' ' LEU . 1.2 pp20? -179.37 146.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.291 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' B' ' 7' ' ' MET . . . -106.61 128.69 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -128.49 103.87 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.927 ' HB2' HG22 ' B' ' 71' ' ' VAL . 29.5 p90 -125.58 169.61 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.0 134.93 55.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.638 ' CD2' HG13 ' B' ' 65' ' ' VAL . 52.4 p90 -134.06 168.62 18.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 1.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -104.64 163.44 12.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 1.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.801 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.2 OUTLIER -141.2 114.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.461 1.1 . . . . 1.0 109.242 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.92 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.5 OUTLIER -87.58 117.25 26.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.746 ' CE1' HG23 ' B' ' 95' ' ' VAL . 1.4 p90 -154.62 142.72 20.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -114.55 133.22 55.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.3 OUTLIER -107.22 168.91 8.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.102 . . . . 1.0 111.008 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -63.91 74.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.18 . . . . 1.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 169.95 -31.14 0.15 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.603 1.189 . . . . 1.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.4 176.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 1.0 110.323 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -79.87 158.94 26.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.233 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.539 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 27.1 m -157.11 151.68 25.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 1.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -135.07 113.11 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.746 HG23 ' CE1' ' B' ' 86' ' ' PHE . 25.6 t -90.77 167.17 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.486 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -141.66 70.25 25.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.571 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.04 164.21 33.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 1.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.892 HG22 ' CE1' ' B' ' 100' ' ' HIS . 4.7 mt -114.81 133.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 1.0 109.355 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' B' ' 79' ' ' ALA . 0.7 OUTLIER -109.01 139.82 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.892 ' CE1' HG22 ' B' ' 98' ' ' ILE . 0.0 OUTLIER -138.92 97.56 3.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 1.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -93.61 129.36 39.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.443 ' HA ' ' CB ' ' B' ' 77' ' ' GLU . 1.8 tpp180 -95.96 127.95 42.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 1.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.757 ' CD2' HG22 ' B' ' 109' ' ' VAL . 20.8 m-85 -107.49 120.21 41.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 1.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 105' ' ' GLY . 11.2 m120 -157.97 -100.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 1.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.693 ' O ' ' HB3' ' B' ' 106' ' ' ALA . . . 30.1 41.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 1.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' B' ' 105' ' ' GLY . . . 84.54 -50.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 1.0 109.259 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 104' ' ' ASN . . . -174.8 58.1 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 1.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.82 163.45 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 1.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.757 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -73.05 124.87 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.595 ' O ' HG12 ' B' ' 110' ' ' VAL . 40.8 t -131.01 6.82 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.62 151.6 13.15 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 1.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.531 ' HE1' ' OH ' ' B' ' 55' ' ' TYR . 1.1 ptt? -170.62 137.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' B' ' 37' ' ' GLU . 21.2 ptt-85 -131.41 -179.1 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 1.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' B' ' 39' ' ' PRO . . . -142.82 171.05 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -147.7 110.92 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 1.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.57 ' CE1' ' CB ' ' B' ' 97' ' ' PRO . 5.0 m-85 -105.62 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 1.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -167.01 174.26 42.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -94.44 -24.38 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.24 11.82 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.213 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -111.66 28.71 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.679 HG12 HG22 ' B' ' 95' ' ' VAL . 3.5 mt -130.33 137.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.419 ' HB2' HG12 ' B' ' 94' ' ' VAL . 4.4 m80 -128.75 105.14 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.582 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.08 169.07 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 173.65 40.19 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 1.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 1.0 109.275 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mmm . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.445 0.164 . . . . 1.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.55 85.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.677 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -154.84 154.6 29.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 110.364 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -26.12 11.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 1.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 6.1 pt-20 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.677 ' HB2' HG23 ' A' ' 3' ' ' THR . 7.7 t-160 -73.81 -45.77 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 1.0 109.61 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.96 ' HG2' ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -58.29 -58.25 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 1.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 m -59.99 -45.34 93.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 1.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -58.3 -33.82 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.612 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 4.0 t -68.48 -44.18 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.714 HG22 ' CE2' ' A' ' 80' ' ' PHE . 73.1 t -57.02 -43.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -52.54 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 1.0 110.239 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -56.12 -38.14 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.689 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 81.7 t80 -61.33 -64.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.614 HG13 HG12 ' A' ' 65' ' ' VAL . 2.7 t -44.65 -44.4 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 1.0 109.215 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.25 27.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.542 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -59.93 -33.28 71.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.689 HD21 ' CZ ' ' A' ' 14' ' ' TYR . 3.9 mm? -63.26 -47.08 83.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -62.93 -35.09 78.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.21 -6.72 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 58.66 24.93 57.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 1.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.58 103.98 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 1.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.748 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -74.18 -62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 1.0 109.383 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -43.5 -41.37 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -64.94 -62.28 5.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.821 HG21 ' CE2' ' A' ' 55' ' ' TYR . 56.5 mt -51.44 -22.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.622 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 4.2 t -86.36 -30.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -85.4 -7.35 58.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.489 ' CD2' HG13 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -72.72 -68.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 1.013 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 28.7 p90 -75.34 -174.51 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 1.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.618 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -54.0 -171.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 1.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 48' ' ' THR . 17.1 t70 -109.77 -7.44 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -141.67 34.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -73.82 -177.95 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 46' ' ' SER . 2.7 p -129.47 122.08 28.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 1.0 110.345 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.733 HG21 HG23 ' A' ' 51' ' ' ILE . 47.9 t -102.89 143.12 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' CG ' ' HA ' ' A' ' 113' ' ' ARG . 9.5 pt-20 -150.93 101.87 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.503 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -135.73 126.81 17.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -75.04 -74.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.001 -2.499 . . . . 1.0 111.01 0.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.734 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 1.3 t -144.44 142.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.83 26.82 18.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.431 1.082 . . . . 1.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -112.89 79.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.38 85.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 110.318 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 143.9 29.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 1.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -107.69 144.9 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 35' ' ' THR . 89.6 p -131.97 117.37 18.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.18 128.49 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 1.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.599 ' OG1' HG13 ' A' ' 27' ' ' VAL . 2.7 t -47.38 -23.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 1.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.64 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 1.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -58.57 -38.46 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 1.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.013 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 76.6 mt -57.3 -39.53 68.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.645 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -71.58 -69.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 1.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -44.54 -32.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 1.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.4 t80 -71.99 -67.95 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.821 ' CE2' HG21 ' A' ' 26' ' ' ILE . 1.9 m-85 -45.42 -39.89 7.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 1.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.748 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . . . -65.36 -54.27 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -51.33 -28.26 11.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -55.1 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.559 HD12 ' CD2' ' A' ' 23' ' ' LEU . 1.8 mt -53.89 -20.14 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -39.92 -29.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 86' ' ' PHE . 12.6 tp -93.23 136.08 24.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.06 83.7 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 1.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.853 HD22 HG23 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -107.39 -175.0 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.81 109.74 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.614 HG12 HG13 ' A' ' 15' ' ' VAL . 3.0 t -92.83 141.66 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -168.38 143.94 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 1.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.65 179.41 7.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.414 HG22 ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER 178.56 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 1.0 110.412 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' NE2' ' HB1' ' A' ' 81' ' ' ALA . 4.4 mt-30 -63.36 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -171.66 176.97 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 110.292 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.896 HG22 ' CB ' ' A' ' 80' ' ' PHE . 90.2 t -124.47 139.37 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 1.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' NH2' ' ND2' ' B' ' 120' ' ' ASN . 0.1 OUTLIER -117.7 85.61 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 110.337 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.532 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -89.72 136.5 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.28 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.06 ' CG1' HG21 ' B' ' 40' ' ' VAL . 0.8 OUTLIER -152.63 -143.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -45.37 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 17.9 m-80 36.05 34.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.643 ' OE1' ' CE1' ' A' ' 100' ' ' HIS . 3.2 mt-10 -125.77 158.48 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 1.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.96 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -154.23 90.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB3' HD22 ' B' ' 115' ' ' LEU . . . -104.5 100.45 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.896 ' CB ' HG22 ' A' ' 71' ' ' VAL . 41.3 p90 -122.48 154.99 37.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -107.79 124.99 50.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.622 1.201 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.584 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 24.4 p90 -123.3 173.84 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 1.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.414 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -114.79 155.4 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 110.386 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.921 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 1.4 p -151.74 109.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -98.69 134.32 41.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.057 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.921 ' CZ ' HG22 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -120.69 167.42 12.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 37.7 tt0 -150.55 140.29 21.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' O ' ' CG ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -179.35 134.62 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 1.0 110.934 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 55.41 44.8 26.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 1.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.06 6.51 46.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 1.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 27.5 mtt180 -91.83 154.91 18.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 1.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 124' ' ' GLY . 16.5 mttp -151.6 122.43 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 94' ' ' VAL . 2.8 m -127.63 170.68 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 94' ' ' VAL . 1.4 p -148.0 96.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 1.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.018 HG12 ' HD3' ' A' ' 97' ' ' PRO . 41.3 t -88.14 142.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -122.61 70.01 35.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 1.018 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.0 Cg_endo -74.99 170.41 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.72 HD11 ' OE1' ' B' ' 70' ' ' GLU . 4.3 mt -118.27 122.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 1.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB3' ' CE2' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -90.36 125.21 35.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.258 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.643 ' CE1' ' OE1' ' A' ' 77' ' ' GLU . 27.5 t60 -114.6 95.93 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 1.0 109.575 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.677 ' CD1' HG11 ' A' ' 109' ' ' VAL . 7.1 m-85 -90.28 143.62 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.488 ' CG ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -131.02 92.92 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.612 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 2.6 m-85 -67.25 156.17 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 0.6 OUTLIER 156.48 -172.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 1.0 109.239 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . 37.79 91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.384 1.053 . . . . 1.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 105' ' ' GLY . . . 81.87 -3.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 1.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.08 23.76 56.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 1.0 110.973 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -114.33 167.88 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 1.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 101' ' ' PHE . 31.4 t -76.4 115.51 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 109.385 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.507 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 62.5 t -115.11 -12.03 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 1.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 102' ' ' ARG . 0.5 OUTLIER -128.01 124.93 38.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.026 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.542 ' HG2' HG13 ' A' ' 36' ' ' VAL . 2.3 ttp -136.51 99.75 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 115' ' ' LEU . 2.6 ttm-85 -118.83 123.26 44.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 1.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -103.56 117.0 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.52 HD13 ' NE2' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -95.87 120.79 36.77 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 97' ' ' PRO . 3.5 m-85 -101.35 -175.2 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.734 ' O ' HD13 ' A' ' 121' ' ' ILE . . . -158.05 -173.14 26.08 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.508 1.13 . . . . 1.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.94 -18.11 13.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 1.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -109.2 14.88 23.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 1.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.605 ' ND2' ' NH2' ' B' ' 72' ' ' ARG . 12.6 m120 -111.56 -12.77 13.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 1.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.821 HG13 HG13 ' A' ' 95' ' ' VAL . 1.9 mp -102.91 135.33 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -133.9 102.93 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.606 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.51 161.41 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . -172.87 -173.24 39.19 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 1.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 1.0 109.265 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.524 0.202 . . . . 1.0 111.049 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -82.48 85.27 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -127.22 155.51 76.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.416 ' HA ' ' HB1' ' B' ' 73' ' ' ALA . 18.1 Cg_endo -75.04 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.771 . . . . 1.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.58 84.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -70.54 -44.12 68.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.571 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.796 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -56.27 -54.83 40.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.806 HG23 HG11 ' B' ' 71' ' ' VAL . 7.4 m -59.05 -49.84 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.28 -37.96 67.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 1.0 109.296 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.733 HG21 ' HZ ' ' B' ' 103' ' ' PHE . 3.4 t -68.16 -35.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 1.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' B' ' 80' ' ' PHE . 6.4 t -65.0 -49.34 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.71 -53.9 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.36 -41.51 76.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.482 ' HH ' ' HH ' ' B' ' 55' ' ' TYR . 21.3 t80 -56.81 -53.9 52.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.062 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' B' ' 66' ' ' GLU . 53.6 t -54.25 -57.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.75 -42.3 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -63.48 -48.65 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.83 -55.25 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.76 -26.33 68.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.43 -11.75 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 65.39 25.19 71.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.546 1.154 . . . . 1.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.63 ' O ' HD12 ' B' ' 26' ' ' ILE . 13.4 t0 -84.53 87.91 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 1.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.553 HD21 ' CB ' ' B' ' 55' ' ' TYR . 2.0 mt -65.61 -59.01 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -51.65 -43.28 62.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -59.73 9.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 1.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.63 HD12 ' O ' ' B' ' 22' ' ' ASP . 9.0 mt -50.74 -39.95 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.646 HG22 ' CG2' ' B' ' 51' ' ' ILE . 41.6 t -65.08 -34.88 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.47 57.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -60.54 -46.04 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 1.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.769 ' HE1' HD13 ' B' ' 51' ' ' ILE . 5.4 p90 -113.09 -175.37 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.796 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -52.42 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.455 ' O ' HG23 ' B' ' 48' ' ' THR . 31.5 m-20 -106.35 -19.95 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 1.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.85 21.3 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -62.4 153.87 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 1.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.703 HG22 ' CB ' ' B' ' 46' ' ' SER . 20.5 p -100.91 124.99 47.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 1.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.665 HG21 HG12 ' B' ' 51' ' ' ILE . 21.4 t -100.56 138.02 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -126.76 63.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.6 ' CG ' ' CZ ' ' B' ' 54' ' ' PHE . 0.9 OUTLIER -115.8 134.33 22.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.772 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -74.93 -57.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.095 0 C-N-CA 121.025 -2.489 . . . . 1.0 110.983 -0.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 1.06 HG21 ' CG1' ' A' ' 74' ' ' VAL . 2.5 t -112.48 -174.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.814 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -53.77 -17.37 6.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.554 1.159 . . . . 1.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -57.97 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 0.718 . . . . 1.0 110.019 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' GLY . 0.2 OUTLIER 83.84 86.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 1.0 110.263 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.808 . . . . 1.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.521 ' CD ' ' HB1' ' B' ' 50' ' ' ALA . 9.4 mtt180 -160.02 175.26 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.703 ' CB ' HG22 ' B' ' 35' ' ' THR . 1.3 p 178.61 150.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 1.0 110.08 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.62 155.84 30.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 32' ' ' ASP . 29.8 p -64.8 -15.97 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 0.812 . . . . 1.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -74.08 -59.78 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.521 ' HB1' ' CD ' ' B' ' 45' ' ' ARG . . . -67.8 -33.61 75.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.769 HD13 ' HE1' ' B' ' 30' ' ' PHE . 20.9 mt -63.64 -65.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 2.6 ttp180 -56.49 -48.04 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 62.8 tt0 -54.49 -35.87 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 110.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.6 ' CZ ' ' CG ' ' B' ' 38' ' ' ASP . 0.2 OUTLIER -74.83 -72.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.846 ' O ' HD12 ' B' ' 59' ' ' LEU . 4.4 m-85 -46.26 -25.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 1.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -77.04 -67.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -50.58 -22.97 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -85.69 -46.84 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 1.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.846 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.6 OUTLIER -60.5 -21.7 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 1.0 109.233 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -19.62 8.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.527 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -99.46 140.11 21.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 55.08 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.925 HD13 ' O ' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -93.89 132.13 38.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 1.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.746 ' N ' HD22 ' B' ' 63' ' ' LEU . . . -108.07 98.8 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.822 HG23 HD21 ' B' ' 63' ' ' LEU . 1.6 t -93.49 146.86 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.575 ' HA ' HG11 ' B' ' 15' ' ' VAL . 4.1 tt0 -167.49 138.19 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 1.0 110.27 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.489 HD22 HG12 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -74.29 140.5 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 1.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.479 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 73.3 p -114.55 -23.26 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.23 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 1.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.72 ' OE1' HD11 ' A' ' 98' ' ' ILE . 2.2 mt-10 60.33 116.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 1.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.806 HG11 HG23 ' B' ' 8' ' ' THR . 42.6 t -155.21 70.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.605 ' NH2' ' ND2' ' A' ' 120' ' ' ASN . 14.0 mmt85 -66.25 92.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.584 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -97.82 79.34 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.444 HG11 HG23 ' A' ' 40' ' ' VAL . 1.5 t -138.78 161.08 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.734 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 48.05 50.15 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.551 HD21 ' N ' ' B' ' 105' ' ' GLY . 2.0 t-20 45.41 43.65 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.414 ' OE1' ' CG ' ' B' ' 102' ' ' ARG . 2.0 tp10 -148.1 126.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.796 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -109.66 96.41 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.701 ' CB ' ' CE1' ' B' ' 100' ' ' HIS . . . -100.69 100.07 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.687 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 26.4 p90 -112.24 161.26 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 1.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.32 116.02 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 1.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' B' ' 96' ' ' ALA . 28.9 p90 -116.2 -168.8 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.159 . . . . 1.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.1 OUTLIER -128.02 160.71 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.563 ' HB ' HD21 ' B' ' 63' ' ' LEU . 0.9 OUTLIER -137.81 113.69 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -94.87 114.55 26.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 1.0 110.059 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.599 ' HE1' HG23 ' B' ' 95' ' ' VAL . 2.1 p90 -153.08 147.41 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -118.79 133.56 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -110.32 170.15 8.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.978 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -63.68 72.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 1.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 172.81 -32.16 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 1.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 166.06 179.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 1.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.586 ' HD3' ' HB2' ' B' ' 125' ' ' ALA . 1.0 OUTLIER -89.03 156.41 18.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 1.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.599 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 33.1 m -156.75 144.78 19.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -127.44 113.94 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 1.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.625 HG13 HG13 ' B' ' 121' ' ' ILE . 13.1 t -93.24 166.71 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.09 67.18 33.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.49 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.28 35.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.5 HG23 ' O ' ' B' ' 80' ' ' PHE . 3.4 mt -111.89 123.56 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.687 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -92.44 119.58 32.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.368 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.701 ' CE1' ' CB ' ' B' ' 79' ' ' ALA . 0.2 OUTLIER -101.93 93.82 5.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 1.0 109.573 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' B' ' 77' ' ' GLU . 9.9 m-30 -84.41 143.04 29.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.155 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' OE1' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -126.18 123.94 39.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 1.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.733 ' HZ ' HG21 ' B' ' 10' ' ' VAL . 0.8 OUTLIER -107.09 138.22 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' B' ' 105' ' ' GLY . 8.8 t-20 -91.33 110.64 21.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.551 ' N ' HD21 ' B' ' 76' ' ' ASN . . . -36.99 -36.31 0.18 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.135 . . . . 1.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.58 85.37 2.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 0.74 . . . . 1.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' B' ' 108' ' ' LYS . . . 153.69 -21.9 0.71 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 1.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' B' ' 107' ' ' GLY . 2.5 mttt 87.33 -174.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 0.8 . . . . 1.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.663 HG23 ' CE1' ' B' ' 103' ' ' PHE . 43.9 t -53.55 115.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.796 HG22 ' HB2' ' B' ' 31' ' ' ALA . 53.6 t -134.08 8.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 109.332 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.81 138.24 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.754 ' HE2' ' CG ' ' B' ' 30' ' ' PHE . 1.6 mtt -146.99 151.27 36.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -152.73 169.99 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 1.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -143.87 167.27 22.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -148.13 110.42 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' B' ' 116' ' ' PHE . 3.5 p90 -120.04 123.48 43.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.503 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -103.98 173.34 21.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.472 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.2 OUTLIER -93.08 -10.25 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.786 . . . . 1.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -104.46 11.48 34.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.499 ' ND2' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -115.45 30.71 7.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.625 HG13 HG13 ' B' ' 95' ' ' VAL . 2.1 mt -127.06 140.66 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.407 ' HB2' HG12 ' B' ' 94' ' ' VAL . 0.1 OUTLIER -130.97 100.38 5.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 1.0 109.608 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.52 173.25 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' B' ' 125' ' ' ALA . . . 172.92 177.23 42.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.506 1.129 . . . . 1.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 0.798 . . . . 1.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.476 0.179 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.457 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 177.7 54.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 1.0 109.319 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -128.39 155.65 78.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.07 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -30.81 6.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.545 1.813 . . . . 1.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -45.86 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 1.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 10' ' ' VAL . 47.7 t60 -69.49 -47.55 63.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 109.644 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.477 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -56.29 -54.6 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 1.0 110.984 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 1.025 HG23 HG11 ' A' ' 71' ' ' VAL . 18.5 m -61.07 -37.36 82.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.42 94.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 103' ' ' PHE . 78.0 t -64.39 -35.07 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.6 t -65.38 -51.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 1.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -60.04 -46.57 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.43 -43.4 98.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 1.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.445 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 39.4 t80 -56.2 -49.61 73.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 1.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.867 HG11 ' H ' ' A' ' 67' ' ' LEU . 97.1 t -58.39 -62.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -42.28 -38.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -68.28 -46.77 69.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.387 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.012 HD23 HG11 ' A' ' 65' ' ' VAL . 9.6 tp -57.98 -57.66 11.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 4.9 t-20 -57.67 -41.18 81.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' ALA . . . -61.0 -18.58 58.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 82.89 7.34 87.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.583 1.177 . . . . 1.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.629 ' O ' HD12 ' A' ' 26' ' ' ILE . 15.0 m-20 -65.96 74.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 1.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.916 HD23 HD13 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -56.89 -60.0 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -50.86 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.55 -42.02 19.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 1.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 22' ' ' ASP . 15.0 mt -66.58 -48.5 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.93 HG21 ' HB2' ' A' ' 52' ' ' ARG . 3.3 t -60.77 -19.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.619 1.199 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.93 -22.39 17.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.387 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.6 tt -54.42 -40.16 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.155 . . . . 1.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 51' ' ' ILE . 1.9 p90 -114.09 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 1.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -44.55 166.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.683 ' O ' HG22 ' A' ' 48' ' ' THR . 3.2 p-10 -94.31 -16.88 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.63 19.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 1.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.719 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -63.75 158.82 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.613 HG22 ' HB2' ' A' ' 46' ' ' SER . 30.6 p -113.57 123.93 51.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 1.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.762 HG21 HG23 ' A' ' 51' ' ' ILE . 23.4 t -102.86 159.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 11.7 tp10 -155.84 73.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -144.32 150.02 46.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 1.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.498 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.96 -63.26 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.981 -2.508 . . . . 1.0 111.008 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.914 HG21 HG11 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -151.78 -175.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.183 . . . . 1.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 12.25 37.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 1.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p 63.2 -178.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 0.763 . . . . 1.0 109.93 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.55 76.23 0.14 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.4 22.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.583 1.833 . . . . 1.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -130.22 119.26 22.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.613 ' HB2' HG22 ' A' ' 35' ' ' THR . 8.5 p -106.45 132.6 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 1.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.92 127.99 5.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 1.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -47.72 -23.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 1.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.89 -50.67 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 45' ' ' ARG . . . -70.13 -36.02 74.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.762 HG23 HG21 ' A' ' 36' ' ' VAL . 61.7 mt -64.12 -66.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.93 ' HB2' HG21 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -51.4 -38.63 54.45 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 1.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.03 -49.82 74.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -62.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.504 ' HD2' HG22 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -45.78 -39.93 8.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 1.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -67.37 -52.52 38.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.34 -25.15 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -76.86 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 1.0 110.032 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.916 HD13 HD23 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -53.82 -19.82 4.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 86' ' ' PHE . 14.4 tp -93.65 139.28 22.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.076 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.523 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.01 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 1.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.842 HD22 HG23 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -84.63 -175.1 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.55 98.35 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.012 HG11 HD23 ' A' ' 18' ' ' LEU . 54.6 t -93.96 140.3 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.503 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 1.1 tt0 -171.84 130.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.867 ' H ' HG11 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -64.24 165.51 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.828 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -139.76 -44.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 110.397 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' NE2' ' OG1' ' A' ' 68' ' ' THR . 0.4 OUTLIER -170.68 -169.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 1.0 110.242 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.615 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 59.85 119.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.025 HG11 HG23 ' A' ' 8' ' ' THR . 58.7 t -157.61 61.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.922 HH21 ' H ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -58.8 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -95.01 117.65 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.68 153.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.98 50.69 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 1.0 109.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER 50.29 30.03 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.4 mt-10 -129.21 169.5 14.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.55 102.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.704 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -102.32 92.9 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.663 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 38.8 p90 -105.37 158.16 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -113.59 113.84 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 29.2 p90 -113.35 -177.82 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -118.93 164.17 15.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.107 . . . . 1.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.93 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 1.3 p -159.46 106.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 93' ' ' THR . 5.7 t -97.86 136.59 37.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.93 ' CZ ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -124.26 170.3 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.961 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 14.6 tt0 -142.77 110.12 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 1.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -96.05 -171.72 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 111.04 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -54.77 83.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 1.0 110.324 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 72.11 40.84 55.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.596 1.185 . . . . 1.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 18.4 mtp180 -153.05 165.26 36.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 1.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -149.51 158.85 44.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 1.0 109.302 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 85' ' ' SER . 98.1 m -151.71 166.3 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.704 ' O ' HG12 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -142.8 96.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.911 HG12 ' HD3' ' A' ' 97' ' ' PRO . 58.4 t -92.72 146.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -126.44 70.63 70.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.911 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.4 Cg_endo -74.94 163.4 35.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 111.031 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.743 HD12 ' HG3' ' B' ' 72' ' ' ARG . 27.4 mt -113.72 118.83 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.663 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.0 m-20 -94.62 135.87 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.704 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 10.1 t-160 -123.58 108.4 12.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 15.4 m-30 -97.62 157.91 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -148.15 109.05 4.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 110.309 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.957 ' CD1' HG22 ' A' ' 109' ' ' VAL . 5.7 m-30 -93.88 157.0 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -170.63 -174.18 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.691 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . 65.02 9.94 43.69 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.403 1.064 . . . . 1.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 105' ' ' GLY . . . 83.42 77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 1.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.13 46.77 77.85 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 1.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -139.28 104.1 4.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.482 0.754 . . . . 1.0 109.383 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.957 HG22 ' CD1' ' A' ' 103' ' ' PHE . 12.6 t -75.66 116.64 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 1.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.71 HG13 ' HA ' ' A' ' 34' ' ' ALA . 21.2 t -134.11 9.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.33 113.38 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.74 ' SD ' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -148.76 133.92 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -141.66 178.75 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB2' ' OD2' ' A' ' 99' ' ' ASP . . . -144.69 168.24 20.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 1.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.509 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.3 OUTLIER -150.71 108.62 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 97' ' ' PRO . 1.1 m-85 -69.37 -175.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.54 175.05 21.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -123.06 -3.37 8.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.786 . . . . 1.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -133.18 9.24 4.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.738 ' C ' HD12 ' A' ' 121' ' ' ILE . 1.3 m-20 -113.67 27.01 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 120' ' ' ASN . 2.8 mp -121.61 138.41 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.39 104.37 7.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.0 109.602 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.93 18.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.26 175.44 46.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 1.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 1.0 109.338 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.453 ' HG3' ' CG2' ' B' ' 3' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.538 0.209 . . . . 1.0 110.956 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' B' ' 76' ' ' ASN . 0.6 OUTLIER -79.35 98.48 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 1.0 109.36 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.453 ' CG2' ' HG3' ' B' ' 1' ' ' MET . 9.7 p -128.38 155.74 78.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 1.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.36 9.22 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 1.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.51 -38.89 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -72.33 -48.21 43.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 1.0 109.643 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.0 mtm -57.08 -53.92 52.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.443 1.089 . . . . 1.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -60.47 -44.07 96.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.435 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.79 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.72 HG21 ' HZ ' ' B' ' 103' ' ' PHE . 2.6 t -63.12 -57.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE1' ' B' ' 80' ' ' PHE . 3.3 t -52.88 -36.12 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.59 -54.17 31.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 1.0 110.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -34.77 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.543 ' HH ' ' HE1' ' B' ' 55' ' ' TYR . 9.0 t80 -65.56 -50.39 65.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.403 HG21 HD23 ' B' ' 67' ' ' LEU . 2.9 t -55.5 -46.17 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.03 -64.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 1.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -42.29 -37.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.621 ' HA ' HD11 ' B' ' 26' ' ' ILE . 9.7 tp -60.97 -57.84 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 1.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -60.06 -16.05 28.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 1.0 109.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.86 -29.69 23.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 1.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.412 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 88.28 20.05 50.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.524 ' O ' HD12 ' B' ' 26' ' ' ILE . 47.1 t0 -80.64 90.24 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.882 HD11 ' HA ' ' B' ' 56' ' ' ALA . 1.4 mt -71.91 -60.19 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -47.91 -49.66 29.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.38 -61.29 6.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 1.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.621 HD11 ' HA ' ' B' ' 18' ' ' LEU . 43.7 mt -41.8 -35.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 1.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.978 HG13 HG23 ' B' ' 48' ' ' THR . 1.0 OUTLIER -71.1 -47.64 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -69.45 -6.57 31.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 109.238 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.06 -37.26 82.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.928 ' CE2' HG21 ' B' ' 51' ' ' ILE . 0.8 OUTLIER -117.59 -174.31 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 1.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.649 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -43.9 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.525 ' C ' ' OG1' ' B' ' 48' ' ' THR . 2.6 p30 -80.33 -1.83 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 34' ' ' ALA . 9.0 t0 -129.91 -76.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 1.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' B' ' 110' ' ' VAL . . . 43.86 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.569 HG22 ' CB ' ' B' ' 46' ' ' SER . 64.4 p -149.73 127.97 12.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.775 HG23 HG12 ' B' ' 51' ' ' ILE . 14.0 t -109.93 136.85 44.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.541 ' O ' ' CG ' ' B' ' 37' ' ' GLU . 0.2 OUTLIER -145.25 109.22 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 1.0 110.359 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -161.62 145.82 9.85 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.629 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -74.98 -70.87 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.056 -2.477 . . . . 1.0 110.957 -0.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.629 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -163.61 175.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.177 . . . . 1.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 127.8 -1.4 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 1.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.2 m 86.81 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 1.0 110.09 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 6.3 tp10 -179.55 62.11 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.06 166.07 29.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.485 1.781 . . . . 1.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.5 OUTLIER -131.72 144.37 50.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.569 ' CB ' HG22 ' B' ' 35' ' ' THR . 96.2 p -132.53 140.96 48.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.32 125.94 5.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.388 1.055 . . . . 1.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.978 HG23 HG13 ' B' ' 27' ' ' VAL . 2.7 m -53.36 -19.44 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -53.79 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.01 -25.06 65.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.928 HG21 ' CE2' ' B' ' 30' ' ' PHE . 65.2 mt -71.74 -45.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.871 ' HB2' HG21 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -69.24 -44.61 71.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.03 -46.36 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -61.38 -60.6 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.874 ' O ' HD12 ' B' ' 59' ' ' LEU . 1.6 m-85 -58.03 -22.17 48.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.882 ' HA ' HD11 ' B' ' 23' ' ' LEU . . . -72.03 -68.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 1.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' B' ' 57' ' ' ASN . 0.9 OUTLIER -47.4 -35.22 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.424 ' N ' ' ND2' ' B' ' 57' ' ' ASN . 36.6 t -71.64 -46.38 59.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.874 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.2 OUTLIER -59.2 -23.62 62.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 1.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -44.27 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' B' ' 62' ' ' PRO . 9.6 tp -95.83 140.52 22.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.98 54.95 3.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 1.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.494 ' HG ' HD23 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -57.03 160.87 3.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.898 ' HB3' ' HB2' ' B' ' 85' ' ' SER . . . -132.03 64.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.726 HG13 ' HD2' ' B' ' 82' ' ' PHE . 55.2 t -69.3 139.3 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' B' ' 67' ' ' LEU . 25.6 tp10 -161.74 142.56 10.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.108 . . . . 1.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' B' ' 82' ' ' PHE . 0.2 OUTLIER -76.64 169.72 17.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.463 HG23 ' NE2' ' B' ' 69' ' ' GLN . 0.1 OUTLIER -175.07 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 1.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.463 ' NE2' HG23 ' B' ' 68' ' ' THR . 14.1 mp0 -64.15 -101.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.834 ' CD ' HH21 ' B' ' 72' ' ' ARG . 3.3 pt-20 -169.79 176.8 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.928 HG22 ' CB ' ' B' ' 80' ' ' PHE . 95.8 t -122.84 138.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.834 HH21 ' CD ' ' B' ' 70' ' ' GLU . 0.0 OUTLIER -114.46 84.86 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.52 137.53 32.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 1.0 109.367 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 40' ' ' VAL . 1.5 t -147.48 -148.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.533 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -48.76 97.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' B' ' 2' ' ' ASN . 8.6 m-80 39.17 31.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 0.1 OUTLIER -123.88 156.98 35.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.253 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.51 94.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.48 100.07 9.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.234 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.928 ' CB ' HG22 ' B' ' 71' ' ' VAL . 22.7 p90 -117.49 157.54 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -107.85 119.11 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.726 ' HD2' HG13 ' B' ' 65' ' ' VAL . 7.3 p90 -121.75 162.18 21.29 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.596 1.185 . . . . 1.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.0 OUTLIER -107.72 160.35 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.413 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.712 HG12 ' CE2' ' B' ' 82' ' ' PHE . 0.7 OUTLIER -136.96 115.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.898 ' HB2' ' HB3' ' B' ' 64' ' ' ALA . 0.4 OUTLIER -94.51 114.37 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 109.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.616 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.6 p90 -147.47 147.38 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.453 ' CG ' ' HG3' ' B' ' 92' ' ' LYS . 54.2 tt0 -124.91 129.98 51.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -106.03 166.36 10.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.58 71.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 174.18 -32.81 0.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.574 1.171 . . . . 1.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' B' ' 90' ' ' GLY . 2.4 mtt-85 172.87 -179.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 0.776 . . . . 1.0 110.375 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.453 ' HG3' ' CG ' ' B' ' 87' ' ' GLU . 10.1 mttt -95.78 158.78 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.63 HG23 ' HA ' ' B' ' 123' ' ' ALA . 4.0 m -155.02 146.4 23.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -130.87 116.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.755 HG13 HG13 ' B' ' 121' ' ' ILE . 3.4 t -96.44 162.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.46 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -142.81 63.53 13.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.577 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -74.97 162.8 36.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 1.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.546 HD12 ' HD2' ' A' ' 72' ' ' ARG . 48.4 mt -111.58 118.76 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CG ' ' CZ ' ' B' ' 80' ' ' PHE . 0.0 OUTLIER -97.79 131.6 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -129.34 116.23 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.566 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' B' ' 99' ' ' ASP . 2.4 m-85 -121.43 159.25 26.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 1.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' B' ' 76' ' ' ASN . 1.6 ptt85 -133.74 135.81 44.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 1.0 110.312 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.778 ' CE1' HG22 ' B' ' 109' ' ' VAL . 2.2 m-85 -84.39 151.25 24.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 1.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' B' ' 105' ' ' GLY . 1.2 t-20 -124.46 -179.31 4.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' B' ' 104' ' ' ASN . . . -35.92 152.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 1.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.81 14.92 6.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 0.702 . . . . 1.0 109.239 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 51.21 64.43 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 1.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 131.52 31.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 1.0 109.328 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.778 HG22 ' CE1' ' B' ' 103' ' ' PHE . 2.7 t -66.1 117.56 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.68 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 94.8 t -116.28 -15.04 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 1.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' SER . . . . . 0.423 ' CB ' ' HG2' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -129.45 124.55 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.46 ' HG3' HG22 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -144.55 118.42 9.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 111.071 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CB ' ' HG3' ' B' ' 37' ' ' GLU . 4.0 mtm-85 -131.16 162.18 30.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 1.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -125.13 165.04 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.82 107.86 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -125.13 148.81 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.434 ' N ' ' OD1' ' B' ' 120' ' ' ASN . . . -123.84 -173.27 13.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.84 -27.09 44.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 1.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 5.71 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' B' ' 96' ' ' ALA . 3.6 m120 -89.97 -19.07 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 109.248 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.755 HG13 HG13 ' B' ' 95' ' ' VAL . 2.3 mp -96.29 135.21 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -131.8 95.46 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 1.0 109.525 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.63 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -53.36 165.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' GLY . . . . . 0.57 ' O ' ' HB2' ' B' ' 125' ' ' ALA . . . 179.08 173.43 44.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 1.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.736 . . . . 1.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.469 0.176 . . . . 1.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER 58.42 165.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 1.0 109.368 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -129.89 151.76 78.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.423 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -34.89 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 1.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.07 -41.79 79.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.595 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -76.64 -53.02 8.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.607 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.83 ' HG2' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -47.8 -42.2 25.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -73.53 -51.74 15.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 1.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.8 -36.98 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.377 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.771 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 84.2 t -72.31 -52.01 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.649 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 3.9 t -50.76 -35.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -25.39 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 15.7 t80 -74.41 -57.34 4.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 1.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.001 HG21 HD23 ' A' ' 67' ' ' LEU . 2.9 t -49.54 -46.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.27 -63.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -42.55 -37.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HA ' HD11 ' A' ' 26' ' ' ILE . 30.9 tp -63.12 -53.72 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.78 -17.9 51.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.13 -24.42 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 78.07 41.67 17.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 1.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.59 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -94.26 95.44 8.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 1.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.3 mt -70.82 -51.7 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 1.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -46.12 87.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.65 -61.97 6.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.706 HG22 ' HE2' ' A' ' 30' ' ' PHE . 53.8 mt -49.33 -36.01 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 1.0 109.215 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.9 t -69.29 -35.53 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -76.74 -16.91 59.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 29' ' ' LEU . 1.3 mt -64.3 -66.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.706 ' HE2' HG22 ' A' ' 26' ' ' ILE . 29.5 p90 -88.12 -175.47 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -51.13 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -111.64 -13.29 13.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.269 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -115.66 6.54 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 109.261 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -56.54 176.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.585 HG22 ' CB ' ' A' ' 46' ' ' SER . 48.0 p -132.87 123.65 26.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.459 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 HG12 ' A' ' 51' ' ' ILE . 82.5 t -90.59 137.82 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -145.74 63.75 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -131.43 141.63 42.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 1.0 109.408 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.557 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.07 -65.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.953 -2.519 . . . . 1.0 111.025 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.92 HG21 HG11 ' B' ' 74' ' ' VAL . 0.6 OUTLIER -148.4 -176.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.545 ' H ' HG12 ' A' ' 40' ' ' VAL . . . 108.8 5.6 31.11 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.419 1.074 . . . . 1.0 111.066 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 m 63.37 -178.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 1.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.25 65.76 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.3 Cg_endo -74.95 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.787 ' CG ' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -128.29 107.39 9.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.585 ' CB ' HG22 ' A' ' 35' ' ' THR . 6.5 p -90.68 139.61 30.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 1.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 96.38 124.13 4.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 1.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -41.86 -27.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 1.0 110.415 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -65.02 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.787 ' HB1' ' CG ' ' A' ' 45' ' ' ARG . . . -55.92 -36.44 67.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.726 HG12 HG23 ' A' ' 36' ' ' VAL . 78.9 mt -62.84 -44.31 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -59.03 6.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 1.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 45.1 tt0 -49.19 -42.73 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 1.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.55 -62.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 1.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 26' ' ' ILE . 4.7 m-85 -55.7 -18.13 7.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 53' ' ' GLU . . . -76.06 -66.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -51.01 -29.96 13.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 109.287 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -76.98 -51.89 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.961 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.444 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 11.0 mt -56.62 -20.65 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.65 -27.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 1.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.6 tp -101.33 139.96 20.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 1.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.03 56.56 4.31 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 1.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.591 HD22 HG23 ' A' ' 84' ' ' VAL . 15.3 mt -53.13 165.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 1.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.764 ' HB3' ' HB3' ' A' ' 85' ' ' SER . . . -133.4 63.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.769 HG22 ' HB ' ' A' ' 84' ' ' VAL . 96.1 t -76.37 137.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 1.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 41.1 tt0 -156.5 145.97 20.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 1.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.001 HD23 HG21 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -76.87 144.41 39.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER 175.26 68.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 110.426 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER 178.35 -150.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.1 156.22 17.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 110.36 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.901 HG22 ' HB2' ' A' ' 80' ' ' PHE . 96.3 t -129.18 102.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.708 ' NH2' HD21 ' B' ' 120' ' ' ASN . 0.0 OUTLIER -71.67 79.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 77' ' ' GLU . . . -97.11 111.46 23.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.53 155.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB2' ' N ' ' B' ' 41' ' ' GLY . . . 54.38 50.42 16.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 51.64 26.13 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 5.0 tt0 -121.29 165.96 14.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 1.0 110.382 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.83 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -157.09 90.76 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.828 ' HB1' ' CD2' ' A' ' 100' ' ' HIS . . . -108.0 95.73 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.901 ' HB2' HG22 ' A' ' 71' ' ' VAL . 50.5 p90 -112.16 163.9 13.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . . . -115.25 121.34 42.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.653 ' CD2' HG13 ' A' ' 65' ' ' VAL . 35.8 p90 -125.22 168.62 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.52 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 110.413 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.769 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -146.09 98.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.257 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.764 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 1.3 t -81.06 141.35 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.641 ' CE1' HG23 ' A' ' 95' ' ' VAL . 3.0 p90 -158.93 144.48 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 2.0 tm-20 -109.22 112.23 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.01 139.84 52.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 52.11 50.63 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.32 30.6 25.69 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 1.0 110.993 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 1.2 ttm-85 -128.36 142.73 51.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 0.74 . . . . 1.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.45 118.75 37.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 1.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 10.1 m -130.23 147.49 51.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 1.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -124.9 120.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.719 HG13 HG13 ' A' ' 121' ' ' ILE . 9.1 t -99.5 163.48 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -142.03 66.14 20.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 169.93 21.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 1.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.629 HD12 ' HD2' ' B' ' 72' ' ' ARG . 1.4 mt -115.1 126.4 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.594 ' OD2' ' CE1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -98.57 129.28 45.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 1.0 109.31 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.828 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 43.3 m170 -114.57 116.51 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.663 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . 16.5 m-30 -113.26 139.91 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -119.63 97.74 5.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 1.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.771 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 1.2 m-85 -75.17 117.72 17.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 1.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.454 ' CG ' ' N ' ' A' ' 105' ' ' GLY . 4.5 p30 176.99 -147.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 1.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.671 ' HA3' HG21 ' A' ' 110' ' ' VAL . . . 58.46 15.0 22.71 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.457 1.098 . . . . 1.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 57.66 15.66 3.01 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.44 0.73 . . . . 1.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -133.45 4.37 4.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 1.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.902 ' O ' HG23 ' A' ' 110' ' ' VAL . 5.0 mttt 91.42 -161.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.616 HG23 ' CE2' ' A' ' 103' ' ' PHE . 85.8 t -38.33 114.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 109.258 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 108' ' ' LYS . 88.9 t -114.52 -30.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.49 112.16 23.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 1.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' GLU . 1.1 ttp -123.74 115.34 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -143.25 135.83 27.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.293 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -104.41 166.84 10.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.804 HD23 ' CG2' ' B' ' 74' ' ' VAL . 0.5 OUTLIER -147.49 106.42 3.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 1.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -122.18 127.3 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -108.96 173.07 17.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 1.6 tt0 -76.5 -2.48 32.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 0.767 . . . . 1.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.81 27.22 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -139.64 24.83 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.719 HG13 HG13 ' A' ' 95' ' ' VAL . 2.2 mp -128.11 137.14 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.42 ' HB2' HG12 ' A' ' 94' ' ' VAL . 13.3 m-70 -125.94 118.09 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.436 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -89.15 147.68 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 1.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -177.02 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 1.0 109.357 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 t30 49.27 57.07 6.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 1.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.507 ' OG1' ' CG ' ' B' ' 6' ' ' HIS . 3.1 p -118.58 157.31 50.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.5 Cg_endo -74.92 -33.73 4.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 1.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -71.58 -31.43 66.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.35 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' OG1' ' B' ' 3' ' ' THR . 25.4 m170 -75.4 -61.44 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.589 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.902 ' SD ' ' HB1' ' B' ' 73' ' ' ALA . 21.6 ptp -53.44 -39.98 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' B' ' 7' ' ' MET . 76.8 m -69.42 -43.75 72.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -57.64 -34.4 69.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.467 1.104 . . . . 1.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.8 -50.79 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.703 HG22 ' CD2' ' B' ' 101' ' ' PHE . 2.5 t -50.82 -37.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.77 -54.29 16.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.8 -28.25 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.314 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 25.0 t80 -72.49 -59.48 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.32 -46.34 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 1.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -63.76 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 1.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -42.2 -35.39 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.367 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.524 ' HA ' HD11 ' B' ' 26' ' ' ILE . 17.2 tp -64.4 -58.76 5.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -16.84 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.66 -33.24 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.496 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 89.02 29.51 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.066 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.616 ' O ' HD12 ' B' ' 26' ' ' ILE . 33.3 m-20 -92.63 92.71 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 1.0 109.213 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.04 -61.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -50.24 42.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.14 -60.12 9.18 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.449 1.093 . . . . 1.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.616 HD12 ' O ' ' B' ' 22' ' ' ASP . 30.4 mt -43.15 -40.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.56 0.8 . . . . 1.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.566 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 24.4 t -64.97 -46.96 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -66.0 -14.4 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -65.51 -46.46 79.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.1 p90 -113.46 -176.38 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.674 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.93 170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 1.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.817 ' O ' HG23 ' B' ' 48' ' ' THR . 2.5 p30 -97.55 -16.93 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.66 24.9 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.926 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -68.65 158.19 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.607 HG22 ' HB2' ' B' ' 46' ' ' SER . 12.8 p -120.72 121.74 38.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 1.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.81 HG23 HG12 ' B' ' 51' ' ' ILE . 28.7 t -97.96 151.33 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.479 ' CA ' ' OE1' ' B' ' 37' ' ' GLU . 2.6 tp10 -150.15 85.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 1.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.569 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -144.63 145.98 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.644 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -74.95 -62.98 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.644 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -166.36 -175.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.403 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 102.54 3.02 50.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.087 . . . . 1.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.7 m 85.24 114.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 0.801 . . . . 1.0 109.958 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.6 OUTLIER 160.71 70.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 167.79 26.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 1.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' B' ' 54' ' ' PHE . 3.8 ptt180 -147.72 96.68 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.607 ' HB2' HG22 ' B' ' 35' ' ' THR . 8.7 p -90.56 135.82 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.37 144.79 14.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.817 HG23 ' O ' ' B' ' 32' ' ' ASP . 50.4 p -61.79 -13.49 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 1.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -76.16 -48.99 18.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.364 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.4 ' HB1' ' CB ' ' B' ' 45' ' ' ARG . . . -76.11 -33.61 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.926 HD11 ' O ' ' B' ' 34' ' ' ALA . 97.2 mt -67.34 -51.14 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' B' ' 48' ' ' THR . 11.2 ptm180 -71.08 -38.4 72.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 7.0 tt0 -54.76 -55.02 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.651 ' CE1' ' NH2' ' B' ' 45' ' ' ARG . 5.8 t80 -64.56 -56.01 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 1.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.746 ' O ' HD12 ' B' ' 59' ' ' LEU . 1.8 m-85 -50.6 -26.07 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.88 -67.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.19 -27.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 1.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.77 -44.92 12.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.746 HD12 ' O ' ' B' ' 55' ' ' TYR . 1.1 mt -57.31 -21.71 36.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -21.02 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' B' ' 86' ' ' PHE . 12.6 tp -99.92 109.05 54.67 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 1.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.851 HD22 ' CG2' ' B' ' 84' ' ' VAL . 0.2 OUTLIER -129.44 -176.22 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -120.52 88.14 2.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.977 HG22 ' HB ' ' B' ' 84' ' ' VAL . 92.6 t -92.34 137.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -176.96 142.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' B' ' 80' ' ' PHE . 0.2 OUTLIER -59.77 149.1 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.521 HG21 ' CG2' ' B' ' 83' ' ' THR . 14.2 t -160.58 26.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -142.37 -96.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -163.18 172.51 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 1.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.905 HG22 ' CB ' ' B' ' 80' ' ' PHE . 58.2 t -127.01 112.6 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.629 ' HD2' HD12 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -86.86 81.87 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 110.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.902 ' HB1' ' SD ' ' B' ' 7' ' ' MET . . . -81.57 152.72 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.92 HG11 HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -171.01 -162.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -39.78 98.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' B' ' 75' ' ' ALA . 0.7 OUTLIER 36.92 47.35 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 1.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.447 ' O ' ' SD ' ' B' ' 7' ' ' MET . 16.7 mt-10 -142.97 149.96 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 1.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.06 93.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 1.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.98 96.46 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.2 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.905 ' CB ' HG22 ' B' ' 71' ' ' VAL . 35.4 p90 -114.28 161.92 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 1.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -115.56 130.37 56.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.599 ' CE1' ' OD2' ' B' ' 99' ' ' ASP . 48.1 p90 -133.05 169.41 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 1.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.521 ' CG2' HG21 ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.23 170.61 7.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 1.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.977 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.1 OUTLIER -161.68 114.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.355 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.586 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 21.2 t -94.51 110.77 22.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -126.74 149.22 49.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -122.18 113.34 19.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.266 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.06 139.2 53.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 1.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 48.89 50.33 17.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 1.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.24 34.53 53.72 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.5 1.125 . . . . 1.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -136.24 117.57 14.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.625 0.838 . . . . 1.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 148.96 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.677 HG22 ' CG2' ' B' ' 121' ' ' ILE . 8.4 m -156.55 147.22 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.472 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.554 HG12 ' O ' ' B' ' 94' ' ' VAL . 2.5 t -113.07 93.86 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.813 HG12 ' HD3' ' B' ' 97' ' ' PRO . 79.4 t -81.57 145.98 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 1.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 1.012 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -126.92 72.46 75.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.813 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.3 Cg_endo -74.99 165.45 31.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.821 . . . . 1.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.505 HG12 ' HB2' ' B' ' 81' ' ' ALA . 5.4 mt -116.39 118.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 109.358 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.599 ' OD2' ' CE1' ' B' ' 82' ' ' PHE . 0.6 OUTLIER -92.68 137.62 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -132.4 104.32 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.61 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.703 ' CD2' HG22 ' B' ' 11' ' ' VAL . 13.3 m-30 -109.15 136.63 48.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.546 ' NE ' ' CB ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -120.23 132.44 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -87.89 147.06 25.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -162.66 -167.03 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 1.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.98 -151.52 51.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.571 1.169 . . . . 1.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.39 -16.1 63.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 1.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 136.41 74.26 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 1.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.486 ' HA ' ' CE2' ' B' ' 103' ' ' PHE . 0.9 OUTLIER -167.07 158.73 12.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.779 . . . . 1.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.455 HG22 ' CE1' ' B' ' 103' ' ' PHE . 4.5 t -73.81 124.58 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 1.0 109.218 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.62 HG22 ' CB ' ' B' ' 31' ' ' ALA . 97.9 t -125.38 -44.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.377 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' SER . . . . . 0.546 ' CB ' ' NE ' ' B' ' 102' ' ' ARG . 3.1 m -93.71 117.97 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.624 ' SD ' HG22 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -131.11 124.52 30.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 111.063 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' B' ' 37' ' ' GLU . 1.1 ttm-85 -146.07 144.44 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 1.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.712 ' O ' HD12 ' B' ' 115' ' ' LEU . . . -114.29 177.59 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.712 HD12 ' O ' ' B' ' 114' ' ' ALA . 0.7 OUTLIER -153.17 107.48 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -105.38 -172.89 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.79 ' O ' HD11 ' B' ' 121' ' ' ILE . . . 170.98 -173.38 44.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 1.0 111.059 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 15.2 mt-10 -115.43 53.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 1.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -147.16 23.83 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 1.012 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -163.16 50.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 109.239 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.79 HD11 ' O ' ' B' ' 117' ' ' GLY . 4.0 mp -134.0 136.96 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -124.65 99.49 6.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 1.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.461 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -63.97 171.15 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.04 173.42 35.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.118 . . . . 1.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.46 0.171 . . . . 1.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 11.1 t30 63.67 79.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 1.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.609 HG23 ' CB ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -147.13 154.24 46.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.91 -29.16 8.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 4.5 mt-10 -69.46 -45.91 67.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.609 ' CB ' HG23 ' A' ' 3' ' ' THR . 2.8 t-160 -68.59 -48.55 63.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.553 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 71.1 mtm -62.08 -62.24 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 37.2 m -51.76 -41.32 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -58.02 -47.97 81.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.716 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 9.5 t -57.07 -42.43 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.614 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 4.4 t -57.85 -44.26 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 1.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -62.29 -40.57 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -35.3 79.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.4 t80 -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.19 -49.3 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 1.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD12 HD13 ' A' ' 26' ' ' ILE . 4.2 tp -61.27 -60.71 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -56.95 -23.01 42.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 1.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.56 -34.72 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.692 ' C ' HD11 ' A' ' 59' ' ' LEU . . . 92.05 21.21 33.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 1.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.648 ' O ' HD12 ' A' ' 26' ' ' ILE . 73.2 m-20 -83.1 91.89 7.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 0.722 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -67.34 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -48.03 -43.73 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 1.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.19 -57.79 17.99 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 1.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 22' ' ' ASP . 23.5 mt -51.7 -29.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -76.2 -33.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.59 58.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.146 . . . . 1.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -56.27 -47.19 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.877 ' CE1' HG21 ' A' ' 51' ' ' ILE . 12.8 p90 -106.82 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -51.4 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.954 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -105.14 -17.8 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 29.41 7.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.924 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -77.66 173.92 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.473 HG22 ' CB ' ' A' ' 46' ' ' SER . 7.5 p -120.62 118.79 31.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.733 HG21 HG23 ' A' ' 51' ' ' ILE . 65.0 t -97.52 137.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 5.0 mt-10 -120.65 61.72 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.546 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 2.8 t70 -109.91 136.76 20.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.722 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -75.05 -36.68 2.51 Favored 'Cis proline' 0 C--N 1.361 1.231 0 C-N-CA 120.946 -2.523 . . . . 1.0 111.031 0.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 41' ' ' GLY . 1.9 t -133.85 -173.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.739 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -54.03 -18.64 9.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 1.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -58.22 85.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 1.0 110.081 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLY . 15.8 mm-40 76.86 83.0 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -74.98 -179.06 4.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 1.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.641 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 2.0 mtt180 -144.14 147.15 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.473 ' CB ' HG22 ' A' ' 35' ' ' THR . 85.6 p -137.73 141.82 41.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.76 152.32 25.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.562 1.164 . . . . 1.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.954 HG23 ' O ' ' A' ' 32' ' ' ASP . 2.3 p -63.67 -13.07 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 1.0 110.433 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.72 -65.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.641 ' HB1' ' HD3' ' A' ' 45' ' ' ARG . . . -68.84 -38.3 79.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 1.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 34' ' ' ALA . 74.6 mt -57.61 -60.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HG3' HG21 ' A' ' 27' ' ' VAL . 12.4 ttm180 -58.83 -38.65 79.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.173 . . . . 1.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.05 -49.2 69.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -73.13 -60.29 2.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 1.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.623 ' CE1' ' CG2' ' A' ' 26' ' ' ILE . 1.5 m-85 -48.3 -23.28 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 1.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -84.44 -51.53 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 1.9 m120 -62.17 -14.51 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -55.03 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 ' C ' ' A' ' 21' ' ' GLY . 1.2 tm? -59.92 -16.01 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 1.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -62.16 -17.38 57.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.685 HD23 ' CD2' ' A' ' 63' ' ' LEU . 12.4 tp -90.55 113.08 56.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 92.45 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 1.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.728 HD12 ' H ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -122.97 -175.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.42 93.83 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.757 HG22 ' HB ' ' A' ' 84' ' ' VAL . 24.7 t -89.69 141.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -160.71 143.18 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.0 110.315 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.606 HD21 ' HD1' ' A' ' 80' ' ' PHE . 3.0 mt -70.35 160.57 32.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.555 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.7 OUTLIER 178.15 49.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' A' ' 68' ' ' THR . 4.0 mp0 -161.16 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 1.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 179.63 167.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.273 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.928 HG22 ' CB ' ' A' ' 80' ' ' PHE . 99.9 t -126.64 118.5 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.927 ' CZ ' HD22 ' B' ' 120' ' ' ASN . 0.9 OUTLIER -89.23 81.92 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 77' ' ' GLU . . . -91.17 123.29 34.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.5 ' CG2' HD23 ' B' ' 115' ' ' LEU . 0.4 OUTLIER -142.27 -146.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -42.91 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ALA . 77.2 m-20 35.42 35.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 1.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.956 ' OE1' HD21 ' B' ' 115' ' ' LEU . 6.5 mt-10 -125.63 161.19 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.33 95.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 1.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -110.8 94.53 5.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.928 ' CB ' HG22 ' A' ' 71' ' ' VAL . 43.2 p90 -111.94 161.39 16.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -114.6 121.13 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.608 ' HD2' HG13 ' A' ' 65' ' ' VAL . 33.7 p90 -125.23 169.2 12.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -107.15 159.16 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 1.0 110.374 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.757 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -137.51 110.15 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.578 ' HA ' HG23 ' A' ' 94' ' ' VAL . 2.0 m -92.41 119.24 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 1.2 p90 -140.86 149.35 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -114.01 118.83 35.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 1.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.508 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -93.78 -173.4 3.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 1.0 111.002 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -47.01 92.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 1.0 110.296 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 52.9 49.02 56.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 1.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -158.11 155.6 29.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 1.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 mtpm? -126.65 134.51 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 123' ' ' ALA . 1.9 m -149.84 149.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 110.472 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.578 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -131.11 116.29 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.249 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.889 HG22 HG12 ' A' ' 121' ' ' ILE . 68.1 t -94.11 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -138.27 71.46 46.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.582 HD12 ' HG3' ' B' ' 72' ' ' ARG . 1.9 mt -116.25 121.42 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.56 125.6 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 18.5 t-160 -122.75 110.6 15.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -110.35 147.36 34.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.497 1.123 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.68 102.59 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 1.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.716 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 3.2 m-85 -69.37 161.73 28.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 173.61 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.87 -116.81 5.47 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.509 1.13 . . . . 1.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -122.2 17.78 10.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 0.729 . . . . 1.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.54 42.97 0.52 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 1.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 161.81 42.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 1.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.71 HG22 ' CD1' ' A' ' 103' ' ' PHE . 12.9 t -85.83 118.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.557 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 71.3 t -114.8 -10.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 1.0 109.259 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.46 131.21 51.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.3 mtp -145.58 142.46 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 162.98 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.321 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -139.63 170.88 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.92 98.16 3.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 1.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 97' ' ' PRO . 8.7 m-85 -105.32 125.87 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -116.15 172.74 14.37 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.554 1.159 . . . . 1.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -96.15 -19.81 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 1.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -88.23 13.08 12.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 1.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.877 ' CG ' HH21 ' B' ' 72' ' ' ARG . 0.2 OUTLIER -125.1 40.17 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.889 HG12 HG22 ' A' ' 95' ' ' VAL . 8.8 mt -133.15 138.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' HB2' HG12 ' A' ' 94' ' ' VAL . 11.1 m-70 -124.3 115.0 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.585 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -80.43 160.09 25.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.65 178.63 40.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 1.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.481 ' HA ' ' CD ' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 1.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.659 ' O ' HG22 ' B' ' 3' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.504 0.193 . . . . 1.0 111.047 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.938 ' OD1' ' HB2' ' B' ' 106' ' ' ALA . 15.3 m-80 -67.6 104.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.729 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -159.11 155.32 23.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 1.0 110.447 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -59.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 1.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -43.03 -35.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 1.0 110.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.729 ' HB2' HG23 ' B' ' 3' ' ' THR . 8.0 t60 -76.13 -53.63 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 109.605 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.908 ' O ' HG23 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -47.8 -43.77 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 1.0 111.097 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -71.05 -52.97 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.6 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.7 -53.21 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.288 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 7' ' ' MET . 96.5 t -46.49 -41.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 109.374 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -52.07 48.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -54.16 -34.34 60.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.4 -58.53 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 t -50.5 -49.98 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.61 -59.44 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.417 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -48.78 -33.35 10.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.742 HD23 ' HB ' ' B' ' 65' ' ' VAL . 7.0 tp -65.77 -54.56 25.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -13.63 58.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.74 4.44 53.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 1.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 23' ' ' LEU . . . 62.07 12.31 36.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.599 1.187 . . . . 1.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.657 ' O ' HD12 ' B' ' 26' ' ' ILE . 10.1 t0 -65.52 75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -64.97 -62.88 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.208 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.62 -52.76 36.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.591 1.182 . . . . 1.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.657 HD12 ' O ' ' B' ' 22' ' ' ASP . 28.6 mt -57.82 -36.64 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 0.716 . . . . 1.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.57 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 10.9 t -69.36 -26.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 1.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.33 -18.9 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -52.39 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.916 ' CE1' HG21 ' B' ' 51' ' ' ILE . 14.9 p90 -102.91 -178.53 3.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.67 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -49.29 176.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.74 ' O ' HG23 ' B' ' 48' ' ' THR . 4.6 m-20 -105.01 -17.02 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' B' ' 33' ' ' ASP . 13.3 p-10 -119.07 23.35 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -68.24 165.38 18.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.643 HG22 ' CB ' ' B' ' 46' ' ' SER . 23.2 p -115.26 140.56 48.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 1.197 . . . . 1.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.931 HG11 ' CE2' ' B' ' 54' ' ' PHE . 2.5 t -124.21 140.44 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.495 ' OE1' ' CA ' ' B' ' 44' ' ' PRO . 7.3 tp10 -128.69 76.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.635 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -138.88 146.8 51.54 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 1.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.635 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -74.97 -73.93 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.049 -2.48 . . . . 1.0 111.04 -0.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -157.06 152.85 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 1.0 109.241 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.602 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 148.39 -54.02 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.602 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.6 m 151.44 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 1.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' B' ' 42' ' ' SER . 7.5 pt-20 42.42 86.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 1.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.495 ' CA ' ' OE1' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -75.02 -167.2 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.772 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.6 OUTLIER -140.72 177.66 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.63 1.206 . . . . 1.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.647 ' O ' ' HB3' ' B' ' 50' ' ' ALA . 81.3 p -179.45 159.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.47 164.96 22.72 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.454 1.096 . . . . 1.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.74 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.8 p -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 1.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.3 -48.71 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 1.179 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' B' ' 46' ' ' SER . . . -60.48 -52.31 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.916 HG21 ' CE1' ' B' ' 30' ' ' PHE . 52.2 mt -59.43 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' B' ' 56' ' ' ALA . 18.4 ttp180 -46.43 -41.76 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 17.9 tp10 -67.02 -40.32 87.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.931 ' CE2' HG11 ' B' ' 36' ' ' VAL . 1.4 t80 -66.0 -62.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.496 ' CE2' ' CG2' ' B' ' 26' ' ' ILE . 24.2 m-85 -56.31 -56.07 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -51.98 -53.64 39.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 23.4 t-20 -55.24 -36.94 66.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -60.87 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -56.66 -21.15 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -44.86 -26.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.698 HD23 HD23 ' B' ' 63' ' ' LEU . 10.9 tp -85.98 139.74 34.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.08 62.64 5.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 1.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.698 HD23 HD23 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -116.37 -175.85 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.03 108.53 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.742 ' HB ' HD23 ' B' ' 18' ' ' LEU . 26.7 t -81.17 143.39 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.06 150.15 33.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.422 ' O ' ' HB ' ' B' ' 68' ' ' THR . 1.3 mt -85.2 149.69 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.515 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.7 t -179.42 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.424 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.7 OUTLIER -155.76 -150.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.453 ' OE1' ' ND2' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 1.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.918 HG22 ' HB2' ' B' ' 80' ' ' PHE . 90.8 t -130.32 103.55 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.877 HH21 ' CG ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -75.44 83.44 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' B' ' 7' ' ' MET . . . -97.57 109.13 21.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 1.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.447 ' CG1' HG21 ' A' ' 40' ' ' VAL . 1.1 p -169.23 162.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.21 50.81 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.63 32.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.923 ' HB3' ' CE1' ' B' ' 101' ' ' PHE . . . -143.71 113.28 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -125.94 97.88 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 1.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.918 ' HB2' HG22 ' B' ' 71' ' ' VAL . 32.0 p90 -115.73 168.03 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.486 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -122.46 126.94 48.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.589 ' CD2' HG13 ' B' ' 65' ' ' VAL . 36.1 p90 -131.15 177.23 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.515 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.3 OUTLIER -113.64 162.81 15.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.7 OUTLIER -138.46 125.21 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 1.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.3 OUTLIER -100.25 115.88 30.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.927 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 1.018 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.3 p90 -137.84 141.08 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -105.25 121.61 44.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.297 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -94.85 -173.95 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 110.984 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -46.72 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 51.8 47.21 53.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 1.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -158.15 163.15 37.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 1.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -126.52 138.29 53.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.611 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 68.3 m -146.97 144.96 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -128.22 116.27 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 1.018 HG23 ' CE1' ' B' ' 86' ' ' PHE . 60.5 t -96.57 165.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.499 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -136.91 71.87 55.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.515 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.98 161.28 39.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 1.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.486 HG12 ' CB ' ' B' ' 81' ' ' ALA . 1.3 mt -115.09 117.59 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' B' ' 79' ' ' ALA . 1.3 m-20 -92.77 134.65 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' B' ' 78' ' ' ALA . 4.1 t-80 -146.79 117.82 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.923 ' CE1' ' HB3' ' B' ' 78' ' ' ALA . 1.3 p90 -140.8 164.68 29.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.84 ' O ' HG13 ' B' ' 109' ' ' VAL . 0.6 OUTLIER -113.53 156.86 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.23 134.38 48.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.501 ' HB2' HG23 ' B' ' 110' ' ' VAL . 1.7 t30 -88.76 130.23 35.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.438 ' C ' ' N ' ' B' ' 107' ' ' GLY . . . 45.74 30.61 3.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 1.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ALA . . . . . 0.938 ' HB2' ' OD1' ' B' ' 2' ' ' ASN . . . 40.4 29.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.617 0.834 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' B' ' 105' ' ' GLY . . . -120.07 -36.95 0.78 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.49 1.119 . . . . 1.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -159.64 142.18 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 1.0 109.3 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.84 HG13 ' O ' ' B' ' 102' ' ' ARG . 2.6 t -69.93 132.7 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 1.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' B' ' 31' ' ' ALA . 55.4 t -127.87 4.84 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 1.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.4 t -157.22 136.72 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 1.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.851 ' HG3' HG13 ' B' ' 36' ' ' VAL . 6.3 ptp -152.15 154.05 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.585 HH21 HH21 ' B' ' 102' ' ' ARG . 13.2 ttp85 -151.56 152.03 32.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 1.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.514 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -127.41 155.43 43.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 1.0 109.387 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.956 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -139.03 111.97 7.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -96.01 -176.03 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.726 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -156.16 175.5 33.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 1.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -103.53 -33.75 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 1.0 110.342 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -88.68 13.05 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.356 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.927 HD22 ' CZ ' ' A' ' 72' ' ' ARG . 2.0 m120 -113.09 32.38 5.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.726 HD11 ' O ' ' B' ' 117' ' ' GLY . 5.0 mp -131.84 137.38 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.51 103.15 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 109.554 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.89 168.29 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 1.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' B' ' 125' ' ' ALA . . . 170.52 174.61 38.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 1.0 109.347 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.509 ' CB ' ' CE1' ' A' ' 103' ' ' PHE . 17.6 mmm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.55 0.214 . . . . 1.0 111.028 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 0.5 OUTLIER -145.98 54.6 1.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 1.0 109.271 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.526 HG23 ' CB ' ' A' ' 6' ' ' HIS . 1.2 t -135.45 149.17 68.76 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.0 Cg_endo -75.1 -36.45 2.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 1.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.94 72.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.526 ' CB ' HG23 ' A' ' 3' ' ' THR . 1.4 t-80 -66.68 -47.06 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.396 1.06 . . . . 1.0 109.619 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.408 ' SD ' ' HB2' ' A' ' 78' ' ' ALA . 14.4 mtm -51.59 -50.7 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.446 HG23 ' HB ' ' A' ' 71' ' ' VAL . 8.4 m -61.37 -47.22 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -34.61 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.588 HG21 ' HE2' ' A' ' 103' ' ' PHE . 2.8 t -69.23 -40.73 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 109.359 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.795 HG22 ' HZ ' ' A' ' 101' ' ' PHE . 10.7 t -58.16 -46.8 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -62.72 -62.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 1.0 110.35 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -42.18 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.666 ' CE1' HG23 ' A' ' 26' ' ' ILE . 60.9 t80 -61.71 -56.26 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -46.03 -44.62 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.39 -59.51 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' C ' HD11 ' A' ' 26' ' ' ILE . . . -50.25 -32.09 15.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' A' ' 26' ' ' ILE . 23.5 tp -68.25 -57.25 6.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 65' ' ' VAL . 2.5 t30 -60.31 -16.58 35.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.94 26.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.94 31.99 41.64 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.452 1.095 . . . . 1.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -94.29 59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 0.83 . . . . 1.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.1 mt -40.03 -32.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -69.61 -64.04 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . -47.72 -43.44 22.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 1.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.766 HG22 ' HE2' ' A' ' 30' ' ' PHE . 46.9 mt -65.1 -40.94 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 1.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.1 t -66.97 -21.61 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 1.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.41 -21.53 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -62.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 1.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.766 ' HE2' HG22 ' A' ' 26' ' ' ILE . 27.7 p90 -91.15 -174.37 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -48.51 176.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 48' ' ' THR . 4.6 m-20 -102.75 -17.51 15.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 1.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -116.06 7.45 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.768 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -45.48 168.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 1.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.781 HG22 ' CB ' ' A' ' 46' ' ' SER . 31.1 p -130.63 125.8 34.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.801 HG23 HG12 ' A' ' 51' ' ' ILE . 46.7 t -103.21 143.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 1.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -135.32 52.86 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 1.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -114.03 139.04 23.16 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.506 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.98 -65.78 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.975 -2.51 . . . . 1.0 111.054 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.113 HG21 HG11 ' B' ' 74' ' ' VAL . 1.4 t -139.52 176.52 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 117.0 83.05 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.107 . . . . 1.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 41' ' ' GLY . 20.2 p -27.36 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.5 mt-10 159.38 71.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.05 147.17 33.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.542 1.812 . . . . 1.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.928 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mmt85 -98.94 120.96 40.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 1.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.781 ' CB ' HG22 ' A' ' 35' ' ' THR . 8.6 p -95.58 150.28 20.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 1.0 109.943 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 153.26 27.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 1.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 32' ' ' ASP . 30.4 p -67.75 -22.97 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 1.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -72.58 -57.89 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.928 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -63.23 -41.23 99.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.801 HG12 HG23 ' A' ' 36' ' ' VAL . 58.7 mt -64.94 -67.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -50.05 -31.49 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.3 mm-40 -62.4 -57.48 11.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 1.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CZ ' ' NE ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -56.63 -56.98 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.624 ' CE2' HG11 ' A' ' 36' ' ' VAL . 10.6 m-85 -58.73 -26.2 63.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 1.0 111.062 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -72.7 -55.14 7.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -52.96 -38.71 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.2 m -69.35 -56.41 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -54.71 -19.86 7.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -40.96 -29.05 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.547 1.154 . . . . 1.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.674 ' CD1' ' CD1' ' A' ' 88' ' ' TYR . 9.6 tp -96.41 135.91 22.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.91 58.55 4.86 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.488 1.783 . . . . 1.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.699 HD22 ' CE1' ' A' ' 86' ' ' PHE . 3.5 pp -80.78 -175.68 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.546 ' N ' HD12 ' A' ' 63' ' ' LEU . . . -147.15 106.44 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 63' ' ' LEU . 42.9 t -84.38 155.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 1.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' LEU . 30.5 tt0 -162.47 160.2 25.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -97.65 154.0 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.495 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER -159.78 -48.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -70.35 -98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 178.57 -178.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.902 HG22 ' CB ' ' A' ' 80' ' ' PHE . 67.1 t -122.27 144.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.427 HH11 ' ND2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -122.86 96.27 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -91.49 136.67 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.529 HG12 ' H ' ' A' ' 75' ' ' ALA . 1.5 t -139.73 -146.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.529 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -48.63 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.269 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' VAL . 66.1 m-80 40.51 29.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.083 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -122.61 159.86 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -150.77 109.01 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 100' ' ' HIS . . . -122.92 111.42 16.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.077 . . . . 1.0 109.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.902 ' CB ' HG22 ' A' ' 71' ' ' VAL . 17.5 p90 -126.0 165.0 19.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -117.36 119.96 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.3 p90 -120.27 169.86 9.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -110.65 154.3 24.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 110.439 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.865 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -135.27 128.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.5 t -108.17 98.0 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.865 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 60.1 m-85 -82.36 159.25 23.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.655 ' H ' HD21 ' A' ' 61' ' ' LEU . 32.7 tt0 -155.74 94.72 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 1.0 110.227 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -133.51 127.66 33.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 49.54 55.83 8.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 1.0 110.267 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.53 25.5 55.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 1.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -110.8 98.42 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 1.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -94.99 119.48 33.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 1.0 109.354 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 85' ' ' SER . 4.8 m -125.35 153.62 43.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 1.0 110.369 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.619 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.1 t -131.42 105.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 1.0 109.229 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.801 HG22 HG23 ' A' ' 121' ' ' ILE . 46.9 t -104.5 167.02 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.517 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -139.12 71.15 40.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 1.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 156.31 42.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 81' ' ' ALA . 5.3 mt -109.77 116.9 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -98.82 133.64 42.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.981 ' CE1' HD12 ' A' ' 115' ' ' LEU . 14.8 p-80 -143.66 125.42 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.648 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.795 ' HZ ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -137.52 177.13 8.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 110.992 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.4 120.6 34.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.765 ' CG ' HG22 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -92.83 123.04 35.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 2.9 m-20 154.61 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.493 ' HA3' HG21 ' A' ' 110' ' ' VAL . . . 37.72 29.62 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 1.0 110.984 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' ASN . . . 41.66 28.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.749 . . . . 1.0 109.269 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -169.44 29.68 0.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 5.0 tttm 91.55 -163.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.753 . . . . 1.0 109.376 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.765 HG22 ' CG ' ' A' ' 103' ' ' PHE . 17.2 t -68.78 124.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.768 HG13 ' HA ' ' A' ' 34' ' ' ALA . 48.7 t -118.76 -78.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 1.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.22 130.07 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 1.0 109.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' GLU . 25.3 ttm -150.86 131.75 14.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 100' ' ' HIS . 10.4 ttp-105 -150.78 152.76 34.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 1.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -119.6 170.55 9.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.981 HD12 ' CE1' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -151.39 103.21 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 1.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -116.34 128.32 55.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.06 -173.12 30.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -107.03 16.13 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 1.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.81 28.51 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 96' ' ' ALA . 1.1 m-20 -145.87 36.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 1.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.801 HG23 HG22 ' A' ' 95' ' ' VAL . 6.1 mt -131.06 136.81 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.38 89.54 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.58 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.58 152.34 28.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.47 176.95 46.79 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.562 1.163 . . . . 1.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 1.0 109.277 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' B' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.524 0.202 . . . . 1.0 111.028 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.5 86.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.365 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.433 ' CG2' ' SD ' ' B' ' 1' ' ' MET . 10.9 p -127.47 155.32 76.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.67 6.86 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 1.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.04 -49.13 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -69.15 -45.14 70.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 1.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.926 ' HE2' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -54.62 -52.35 62.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 110.952 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -60.03 -48.29 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 1.0 110.45 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.37 -41.4 51.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.522 HG13 HD21 ' B' ' 29' ' ' LEU . 3.2 t -67.05 -42.01 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 1.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.844 HG22 ' CZ ' ' B' ' 101' ' ' PHE . 3.2 t -56.99 -45.47 83.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.6 -43.38 97.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 1.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -35.86 81.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.505 ' HA ' HD13 ' B' ' 29' ' ' LEU . 46.6 t80 -65.69 -49.6 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.49 -60.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.93 -46.92 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 1.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.454 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -59.35 -42.47 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.588 ' HA ' HD11 ' B' ' 26' ' ' ILE . 21.3 tp -58.98 -57.24 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.37 -21.8 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.3 -24.34 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.507 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 79.43 27.38 55.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.521 1.138 . . . . 1.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.55 ' O ' HD12 ' B' ' 26' ' ' ILE . 3.7 t0 -82.57 96.37 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 0.819 . . . . 1.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.457 HD21 HD12 ' B' ' 59' ' ' LEU . 13.8 mt -71.35 -72.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -48.82 -40.4 29.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.55 -64.19 3.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 55.0 mt -45.66 -40.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.585 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 12.6 t -64.37 -39.78 86.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 1.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.94 -15.9 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.522 HD21 HG13 ' B' ' 10' ' ' VAL . 4.2 tt -63.4 -44.63 94.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.806 ' CE1' HG21 ' B' ' 51' ' ' ILE . 3.3 p90 -114.53 -178.71 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 1.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -47.61 173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.849 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -102.82 -10.07 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -120.68 9.43 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' B' ' 109' ' ' VAL . . . -56.45 162.04 2.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 1.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.831 HG22 ' CB ' ' B' ' 46' ' ' SER . 62.2 p -125.52 129.14 49.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 1.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.779 HG23 HG12 ' B' ' 51' ' ' ILE . 44.6 t -105.06 145.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.465 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 8.6 tt0 -128.64 66.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 6.1 p-10 -144.91 134.65 11.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.482 ' HB2' ' H ' ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.04 -144.56 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.012 -2.495 . . . . 1.0 111.003 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.526 HG12 ' H ' ' B' ' 41' ' ' GLY . 17.3 t -103.44 171.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.526 ' H ' HG12 ' B' ' 40' ' ' VAL . . . 111.07 25.87 4.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 1.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p 69.93 178.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 1.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.2 65.14 0.46 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 1.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.652 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -137.27 146.64 44.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.831 ' CB ' HG22 ' B' ' 35' ' ' THR . 53.7 p -144.24 136.31 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.056 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.7 160.55 23.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 1.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.849 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.6 p -67.83 -34.63 77.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 1.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.67 88.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.652 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -74.21 -63.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.806 HG21 ' CE1' ' B' ' 30' ' ' PHE . 84.1 mt -46.69 -38.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 48' ' ' THR . 9.3 ttt-85 -76.93 -35.43 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.43 -40.98 98.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 0.1 OUTLIER -74.99 -51.43 13.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 110.929 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.682 ' O ' HD12 ' B' ' 59' ' ' LEU . 6.9 m-85 -61.48 -25.11 67.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 1.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -81.34 -69.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -44.88 -29.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 44.2 m -83.77 -41.5 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.682 HD12 ' O ' ' B' ' 55' ' ' TYR . 6.0 mt -60.72 -20.17 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -48.78 -24.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.754 HD23 ' HG ' ' B' ' 63' ' ' LEU . 10.2 tp -106.58 140.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' B' ' 61' ' ' LEU . 17.8 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 1.0 110.955 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.754 ' HG ' HD23 ' B' ' 61' ' ' LEU . 13.4 mt -54.45 151.18 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.189 . . . . 1.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' B' ' 85' ' ' SER . . . -113.48 60.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.685 HG22 ' HB ' ' B' ' 84' ' ' VAL . 72.0 t -75.81 145.33 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 179.38 126.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.465 ' HA ' ' CB ' ' B' ' 82' ' ' PHE . 0.4 OUTLIER -66.37 148.29 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.498 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.4 t -172.43 44.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 1.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -144.01 -95.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 1.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 63.5 mm-40 -151.01 156.41 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 1.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.938 HG22 ' HB2' ' B' ' 80' ' ' PHE . 44.4 t -129.0 99.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.908 HH21 ' N ' ' B' ' 71' ' ' VAL . 5.5 mmp_? -83.67 100.41 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 1.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.926 ' HB1' ' HE2' ' B' ' 7' ' ' MET . . . -100.66 133.75 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 1.113 HG11 HG21 ' A' ' 40' ' ' VAL . 1.3 t -145.67 -149.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.5 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -45.31 91.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.1 OUTLIER 35.79 34.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 75' ' ' ALA . 1.5 mt-10 -133.08 108.39 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.95 121.44 44.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.426 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -130.65 108.04 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.938 ' HB2' HG22 ' B' ' 71' ' ' VAL . 15.0 p90 -125.38 162.36 24.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.556 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -109.88 135.67 50.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 109.37 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.63 ' CD2' HG13 ' B' ' 65' ' ' VAL . 49.0 p90 -137.85 166.09 24.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -103.83 160.72 14.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.43 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.709 HG13 ' HB ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -144.49 100.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 1.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.58 ' O ' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -90.97 125.8 35.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 1.0 109.957 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.649 ' HB3' HD23 ' B' ' 63' ' ' LEU . 3.7 p90 -139.35 145.34 38.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 35.0 tt0 -109.14 136.71 48.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 1.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' B' ' 89' ' ' GLN . 0.2 OUTLIER -119.88 86.62 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 110.951 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' B' ' 88' ' ' TYR . 23.7 pt20 42.43 64.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 1.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.19 -44.27 1.55 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 1.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.2 OUTLIER -61.83 143.36 56.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 1.0 110.382 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -132.62 105.14 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 51.7 m -121.69 158.97 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 1.0 110.386 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.54 HG23 ' CB ' ' B' ' 85' ' ' SER . 0.7 OUTLIER -141.06 117.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.746 HG22 HG12 ' B' ' 121' ' ' ILE . 21.4 t -95.06 169.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.514 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -144.22 68.83 15.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.554 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 162.71 36.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.556 HG12 ' HB2' ' B' ' 81' ' ' ALA . 39.8 mt -113.73 117.4 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 140.77 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 1.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.438 ' NE2' ' OE1' ' B' ' 77' ' ' GLU . 4.2 t-80 -151.99 113.22 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.652 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.844 ' CZ ' HG22 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -133.18 158.29 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 1.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' B' ' 76' ' ' ASN . 0.0 OUTLIER -113.72 129.96 56.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 1.017 ' CB ' HG22 ' B' ' 109' ' ' VAL . 3.1 p90 -162.75 156.71 20.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 111.041 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -105.13 121.1 43.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 1.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -37.6 -68.95 0.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.145 . . . . 1.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.47 52.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.23 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.577 ' O ' ' CB ' ' B' ' 108' ' ' LYS . . . -161.63 -84.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.599 1.187 . . . . 1.0 110.997 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' B' ' 107' ' ' GLY . 0.0 OUTLIER 157.99 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 1.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 1.017 HG22 ' CB ' ' B' ' 103' ' ' PHE . 7.5 t -106.92 125.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 1.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' B' ' 34' ' ' ALA . 59.7 t -115.62 -12.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' B' ' 113' ' ' ARG . 0.5 OUTLIER -137.7 141.05 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.041 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.434 ' HG2' HG13 ' B' ' 36' ' ' VAL . 9.1 ttm -157.38 141.32 16.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' B' ' 37' ' ' GLU . 0.4 OUTLIER -142.6 169.64 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 1.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' B' ' 38' ' ' ASP . . . -146.04 118.04 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.55 103.95 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.591 ' C ' ' CD1' ' B' ' 116' ' ' PHE . 0.0 OUTLIER -111.76 179.32 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -161.87 178.11 37.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 1.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' B' ' 121' ' ' ILE . 19.6 mp0 -97.29 -16.62 20.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -88.99 14.18 11.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.427 ' ND2' HH11 ' A' ' 72' ' ' ARG . 0.6 OUTLIER -124.35 31.71 5.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.746 HG12 HG22 ' B' ' 95' ' ' VAL . 7.7 mt -126.28 137.13 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.223 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.15 104.49 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.65 148.97 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.84 -179.53 45.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.458 1.099 . . . . 1.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.311 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.453 0.168 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' ND2' ' OD1' ' A' ' 76' ' ' ASN . 15.9 m120 -118.04 102.61 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -111.04 156.05 41.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 1.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.485 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 18.5 Cg_endo -75.0 -30.49 7.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 1.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.7 -41.78 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 1.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.76 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.7 t-160 -69.59 -48.12 61.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.547 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.64 -53.85 49.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.428 HG23 ' HB ' ' A' ' 71' ' ' VAL . 10.6 m -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -39.15 78.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 6' ' ' HIS . 74.3 t -62.96 -49.39 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.245 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.613 HG22 ' CD2' ' A' ' 101' ' ' PHE . 25.1 t -56.34 -39.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 1.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 1.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -35.49 79.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 2.7 t80 -66.18 -42.23 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.472 1.108 . . . . 1.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -58.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.15 70.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 1.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.2 -55.79 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.0 -32.6 69.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.0 109.358 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.13 -19.64 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 1.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.29 47.33 36.87 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.532 1.145 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 2.9 t0 -98.03 90.56 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 1.0 109.371 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 27' ' ' VAL . 42.2 mt -67.46 -50.15 60.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.96 -57.09 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.41 -50.32 48.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.605 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 75.7 mt -60.48 -35.87 65.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.509 0.77 . . . . 1.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.824 HG21 ' HG2' ' A' ' 52' ' ' ARG . 40.9 t -70.88 -24.4 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -20.56 25.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.507 HD22 HG13 ' A' ' 10' ' ' VAL . 1.8 mt -53.86 -40.79 66.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.391 1.057 . . . . 1.0 109.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.3 p90 -115.77 179.88 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.637 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -48.68 175.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.656 ' O ' HG22 ' A' ' 48' ' ' THR . 1.0 OUTLIER -98.31 -18.42 18.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -115.5 13.32 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -58.71 165.82 2.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.409 1.068 . . . . 1.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.63 HG22 ' HB2' ' A' ' 46' ' ' SER . 82.5 p -120.62 143.38 48.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.549 1.156 . . . . 1.0 110.435 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.726 HG13 ' HG3' ' A' ' 112' ' ' MET . 2.5 t -125.22 140.9 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.361 1.038 . . . . 1.0 109.232 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.63 94.37 2.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.86 ' HB2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -143.24 136.93 14.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.652 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.02 -82.02 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.938 -2.526 . . . . 1.0 110.992 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.497 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -156.81 156.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 1.0 109.325 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 133.6 -44.77 1.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 1.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 155.91 -178.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 1.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 7.4 tt0 66.97 63.35 0.79 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.0 -169.96 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.715 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 4.9 mmp_? -143.24 155.83 44.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 1.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.63 ' HB2' HG22 ' A' ' 35' ' ' THR . 12.0 p -156.17 136.21 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 1.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 102.19 124.4 5.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 1.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -40.66 -28.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 1.0 110.354 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.22 -57.92 8.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 109.368 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.715 ' HB1' ' HD3' ' A' ' 45' ' ' ARG . . . -64.51 -36.92 85.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.946 HG21 ' CE1' ' A' ' 30' ' ' PHE . 36.5 mt -61.89 -36.65 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.824 ' HG2' HG21 ' A' ' 27' ' ' VAL . 13.1 mmm-85 -68.68 -60.24 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 1.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.86 -31.16 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.718 ' CE2' HG11 ' A' ' 36' ' ' VAL . 2.4 t80 -68.79 -68.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.494 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.3 m-85 -53.33 -27.89 25.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -59.8 3.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -53.38 -33.0 51.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -58.74 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 1.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -56.73 -20.86 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -21.78 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.585 HD23 HD23 ' A' ' 63' ' ' LEU . 11.7 tp -90.33 129.67 44.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 1.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.0 93.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 1.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -137.67 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.29 103.22 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 1.0 109.226 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.8 t -86.15 143.84 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 1.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -163.4 135.64 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 1.0 110.363 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD21 ' HD1' ' A' ' 80' ' ' PHE . 3.8 mt -69.97 175.5 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 178.4 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.388 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -72.72 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 1.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.7 176.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.883 HG22 ' CB ' ' A' ' 80' ' ' PHE . 65.1 t -121.92 137.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.719 HH21 ' HA ' ' B' ' 97' ' ' PRO . 1.4 tpt85 -110.17 86.96 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 1.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -94.09 130.68 40.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 1.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.848 HG11 HG21 ' B' ' 40' ' ' VAL . 1.4 t -146.57 -147.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -49.53 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.445 ' OD1' ' ND2' ' A' ' 2' ' ' ASN . 30.7 m-80 37.62 41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.632 ' OE1' HD21 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -134.07 156.68 47.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.801 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -159.56 89.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.479 1.112 . . . . 1.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 100' ' ' HIS . . . -108.19 105.55 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 1.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.883 ' CB ' HG22 ' A' ' 71' ' ' VAL . 35.8 p90 -117.89 155.82 29.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 1.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.699 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -111.4 124.63 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 1.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 48.5 p90 -127.11 167.24 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.459 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -105.42 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 1.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -152.28 122.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 37.1 t -103.34 121.01 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.787 ' CE1' HG23 ' A' ' 95' ' ' VAL . 3.6 p90 -140.72 146.27 37.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.22 120.41 41.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 1.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -96.66 -173.45 2.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 1.0 111.025 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -42.98 92.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 50.64 54.04 22.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 1.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' HG3' ' CB ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -169.36 171.12 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 1.0 110.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.02 151.91 51.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.595 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 40.9 m -153.75 145.25 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 1.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.9 t -123.7 104.57 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 1.0 109.242 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.787 HG23 ' CE1' ' A' ' 86' ' ' PHE . 92.7 t -93.39 148.62 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 120' ' ' ASN . . . -125.2 72.7 65.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.592 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.02 163.57 35.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.59 1.837 . . . . 1.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.699 HG12 ' HB2' ' A' ' 81' ' ' ALA . 21.7 mt -117.8 120.33 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -92.82 131.47 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.567 ' CD2' HG22 ' A' ' 98' ' ' ILE . 17.2 m-70 -112.1 126.72 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.801 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . 5.7 m-85 -116.88 135.01 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -123.74 108.58 12.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 1.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -83.09 157.2 22.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 177.37 -176.66 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . 52.42 84.5 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.43 1.081 . . . . 1.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 105' ' ' GLY . . . 70.71 -61.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 108' ' ' LYS . . . 165.43 71.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 1.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 107' ' ' GLY . 7.3 mttm -159.38 146.24 16.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 0.784 . . . . 1.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 103' ' ' PHE . 2.5 t -72.23 121.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 31' ' ' ALA . 49.2 t -120.04 0.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -152.32 139.4 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.054 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.726 ' HG3' HG13 ' A' ' 36' ' ' VAL . 4.6 ptp -153.3 133.16 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 1.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.402 ' NE ' HG13 ' A' ' 40' ' ' VAL . 27.7 ttt180 -132.14 131.66 42.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 1.0 110.249 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.86 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -106.07 123.06 47.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 109.373 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' HG ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -107.34 134.6 50.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -95.65 -174.73 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 111.039 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.813 ' HA3' HH21 ' B' ' 72' ' ' ARG . . . -145.02 173.72 25.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 1.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -115.54 -34.0 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 1.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' NZ ' ' H ' ' B' ' 71' ' ' VAL . 18.7 pttm -102.49 15.0 30.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.472 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 53.1 m-80 -113.17 28.17 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 117' ' ' GLY . 2.7 mp -123.09 139.24 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -127.27 96.57 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.17 157.85 16.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.25 -178.42 42.42 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.413 1.07 . . . . 1.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.592 0.819 . . . . 1.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.487 0.184 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.542 ' OD1' ' ND2' ' B' ' 76' ' ' ASN . 0.1 OUTLIER -87.66 91.2 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.373 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.404 HG23 ' CG ' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -141.04 154.17 67.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 110.46 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -25.91 11.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 1.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.5 mt-10 -66.94 -44.83 79.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 1.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.439 ' O ' HG23 ' B' ' 10' ' ' VAL . 1.4 m80 -73.48 -47.1 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 1.0 109.541 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.664 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.1 OUTLIER -57.47 -57.07 14.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 111.006 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.2 m -60.18 -44.06 95.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -58.96 -35.07 72.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 6' ' ' HIS . 2.9 t -66.21 -49.33 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' B' ' 80' ' ' PHE . 7.5 t -53.57 -43.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.66 -54.04 51.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.091 . . . . 1.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -56.51 -37.83 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.714 ' O ' HD23 ' B' ' 18' ' ' LEU . 77.3 t80 -63.79 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.643 HG13 HG12 ' B' ' 65' ' ' VAL . 2.1 t -43.96 -40.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 1.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.98 -60.23 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.683 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -56.04 -28.79 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 1.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.714 HD23 ' O ' ' B' ' 14' ' ' TYR . 4.6 mm? -67.99 -50.29 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -59.44 -32.12 69.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.03 -15.99 32.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.761 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 61.15 42.54 99.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.1 . . . . 1.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.835 ' O ' HD12 ' B' ' 26' ' ' ILE . 4.9 t0 -78.67 119.85 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.904 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.5 OUTLIER -74.57 -75.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.21 -27.93 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -66.96 -67.23 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 1.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.956 HG21 ' CE2' ' B' ' 55' ' ' TYR . 15.7 mt -51.1 -33.03 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 1.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 23' ' ' LEU . 21.7 t -73.98 -31.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -81.94 -13.83 56.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -62.71 -44.72 95.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 2.0 p90 -114.0 -177.09 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.19 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 109.355 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 1.0 ' O ' HG23 ' B' ' 48' ' ' THR . 0.1 OUTLIER -94.26 -16.13 23.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.61 12.44 17.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.17 178.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.708 HG22 ' HB2' ' B' ' 46' ' ' SER . 10.7 p -136.91 133.56 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.798 HG23 HG12 ' B' ' 51' ' ' ILE . 41.8 t -101.92 144.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 6.2 tp10 -144.2 81.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.569 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -150.05 146.45 20.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.569 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -75.1 -68.61 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.987 -2.505 . . . . 1.0 110.987 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.848 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.04 -177.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 1.0 109.221 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.25 5.44 21.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 1.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.99 91.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 0.79 . . . . 1.0 110.072 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 179.93 65.49 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.95 39.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 1.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.631 ' HB2' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -138.5 125.64 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.708 ' HB2' HG22 ' B' ' 35' ' ' THR . 19.8 p -109.74 147.34 33.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.47 141.7 11.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 1.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' THR . . . . . 1.0 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.9 p -59.49 -20.54 56.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.521 0.777 . . . . 1.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.81 -56.14 7.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' B' ' 45' ' ' ARG . . . -63.85 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.798 HG12 HG23 ' B' ' 36' ' ' VAL . 82.1 mt -65.9 -41.61 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 1.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.89 ' O ' HD11 ' B' ' 23' ' ' LEU . 9.1 mtt85 -64.36 -54.12 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 1.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.84 -29.05 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 1.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.645 ' CE2' HG11 ' B' ' 36' ' ' VAL . 48.8 t80 -70.03 -69.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 1.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.956 ' CE2' HG21 ' B' ' 26' ' ' ILE . 32.1 m-85 -58.85 -23.99 61.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.447 1.092 . . . . 1.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.866 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -69.33 -59.15 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' B' ' 54' ' ' PHE . 10.2 p30 -60.86 -36.97 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 1.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.8 t -66.6 -69.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 1.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.761 HD22 ' HA2' ' B' ' 21' ' ' GLY . 17.4 mt -53.26 -20.03 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -39.14 -30.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 1.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.537 HD12 ' HD2' ' B' ' 62' ' ' PRO . 11.0 tp -88.15 139.89 30.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.01 83.88 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.76 . . . . 1.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.59 176.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.91 105.23 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.643 HG12 HG13 ' B' ' 15' ' ' VAL . 4.6 t -79.73 140.68 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -163.66 115.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 1.048 HD12 ' N ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -73.98 146.9 43.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 68' ' ' THR . . . . . 1.048 ' N ' HD12 ' B' ' 67' ' ' LEU . 0.1 OUTLIER -138.54 -43.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -57.56 -104.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.224 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.9 -178.77 6.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 1.0 110.331 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.847 HG13 ' HB3' ' B' ' 80' ' ' PHE . 32.7 t -122.86 127.87 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.813 HH21 ' HA3' ' A' ' 117' ' ' GLY . 1.6 ttm180 -102.25 76.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.843 ' O ' HG23 ' B' ' 74' ' ' VAL . . . -86.94 111.5 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 73' ' ' ALA . 2.9 t -164.81 150.12 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 51.73 63.08 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.248 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.542 ' ND2' ' OD1' ' B' ' 2' ' ' ASN . 0.3 OUTLIER 41.14 28.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' B' ' 100' ' ' HIS . 2.4 tt0 -124.27 164.3 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.664 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -149.36 91.84 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.968 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -103.05 93.2 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.847 ' HB3' HG13 ' B' ' 71' ' ' VAL . 23.9 p90 -111.1 150.61 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.471 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -110.25 125.43 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.616 ' CD1' ' CE2' ' B' ' 80' ' ' PHE . 37.9 p90 -131.26 167.59 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 1.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -106.73 152.69 23.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 110.407 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -126.45 116.12 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 1.0 109.228 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.423 ' HA ' HG23 ' B' ' 94' ' ' VAL . 9.9 t -91.79 118.41 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 1.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.718 ' CE1' HG23 ' B' ' 95' ' ' VAL . 0.9 OUTLIER -161.36 146.14 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 1.0 111.058 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -110.6 134.68 52.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -108.89 171.19 7.58 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.534 1.146 . . . . 1.0 110.966 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.91 75.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 1.0 110.291 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.499 ' O ' ' CD ' ' B' ' 91' ' ' ARG . . . 168.7 -30.76 0.17 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.584 1.177 . . . . 1.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER 162.85 178.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 1.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' B' ' 125' ' ' ALA . 29.5 tttt -75.69 154.19 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.605 HG22 ' CG2' ' B' ' 121' ' ' ILE . 3.0 m -153.44 149.35 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -134.9 116.99 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 1.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.718 HG23 ' CE1' ' B' ' 86' ' ' PHE . 17.6 t -96.14 168.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.492 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -142.41 67.42 20.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.719 ' HA ' HH21 ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.04 162.92 36.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 1.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' B' ' 81' ' ' ALA . 7.0 mt -116.9 116.05 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.572 ' CB ' ' CE1' ' B' ' 80' ' ' PHE . 0.4 OUTLIER -90.54 135.03 33.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.968 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 4.7 t-160 -123.97 103.26 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.553 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.662 ' HB2' ' HB3' ' B' ' 78' ' ' ALA . 17.9 m-85 -91.63 149.39 21.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 1.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -134.21 111.24 10.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.757 ' CD1' HG22 ' B' ' 109' ' ' VAL . 3.5 m-30 -68.13 159.39 31.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -151.5 170.75 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.07 -59.93 0.78 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.421 1.076 . . . . 1.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.86 -39.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.743 . . . . 1.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -164.78 29.26 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 1.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -121.04 118.23 29.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 1.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.757 HG22 ' CD1' ' B' ' 103' ' ' PHE . 3.4 t -67.8 116.58 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.466 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 70.0 t -114.71 -20.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -126.8 127.32 44.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.082 . . . . 1.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.539 ' SD ' HG22 ' B' ' 36' ' ' VAL . 2.1 ptt? -144.78 130.01 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 1.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -134.51 178.06 7.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 1.0 110.293 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.51 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -139.52 172.52 12.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.632 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -153.6 104.08 2.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -119.43 -178.56 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.508 ' N ' HH12 ' A' ' 72' ' ' ARG . . . -163.89 176.32 39.94 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 3.8 tp10 -91.59 11.59 23.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 1.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -118.35 16.99 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.504 ' CG ' ' CZ ' ' A' ' 72' ' ' ARG . 3.2 m120 -131.46 39.06 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.605 ' CG2' HG22 ' B' ' 93' ' ' THR . 2.5 mt -131.63 149.92 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.431 ' HB2' HG12 ' B' ' 94' ' ' VAL . 3.5 m80 -141.41 111.65 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.662 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.1 164.98 23.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 1.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.36 175.89 43.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 1.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 1.0 109.346 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.419 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 11.5 mmt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.497 0.189 . . . . 1.0 111.027 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 173.66 83.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.59 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -130.0 154.68 81.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.406 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.96 7.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.471 1.774 . . . . 1.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -67.85 -44.31 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.59 ' HB2' HG23 ' A' ' 3' ' ' THR . 14.2 t60 -70.44 -46.14 64.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 1.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.636 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 52.4 mtm -61.17 -61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 HG11 ' A' ' 71' ' ' VAL . 10.1 m -55.06 -40.15 69.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.2 -45.55 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.94 -47.11 92.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.715 HG13 ' CE1' ' A' ' 80' ' ' PHE . 2.9 t -56.24 -47.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -55.6 32.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -52.45 -40.26 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.362 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -66.59 -45.16 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 110.985 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 67' ' ' LEU . 15.7 t -56.34 -51.49 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -61.93 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 1.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -43.01 -39.04 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.72 -57.02 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.8 -16.47 28.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 1.0 109.254 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -27.13 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.265 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . 76.71 45.46 13.0 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.535 ' O ' HD12 ' A' ' 26' ' ' ILE . 78.3 m-20 -92.65 106.2 18.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 0.729 . . . . 1.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.7 mt -77.83 -67.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.34 -35.11 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 1.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -71.16 -68.91 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 1.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.585 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 78.3 mt -42.44 -38.16 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -68.25 -46.73 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -64.37 -15.24 60.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 1.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -54.47 28.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 1.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CE1' HG21 ' A' ' 51' ' ' ILE . 18.3 p90 -105.06 -176.11 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.728 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -49.34 176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.848 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -103.89 -12.99 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 1.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.84 12.62 12.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.823 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -59.05 170.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 46' ' ' SER . 4.8 p -120.87 120.44 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 1.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.741 HG21 HG23 ' A' ' 51' ' ' ILE . 95.0 t -97.02 137.64 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -136.15 63.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -107.52 132.34 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.06 -52.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.02 -2.492 . . . . 1.0 111.005 0.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.984 HG21 HG11 ' B' ' 74' ' ' VAL . 2.5 t -114.51 -173.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.836 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -51.2 -20.12 4.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 23.7 t -53.32 88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 1.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER 81.83 77.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 1.0 110.256 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.0 Cg_endo -75.09 174.29 13.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 1.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.782 ' CD ' ' HB1' ' A' ' 50' ' ' ALA . 4.1 mmt85 -150.58 148.37 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 35' ' ' THR . 33.0 p -142.36 139.77 31.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 109.956 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 153.1 25.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 32' ' ' ASP . 33.3 p -63.72 -11.94 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 1.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.78 -65.16 0.83 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.782 ' HB1' ' CD ' ' A' ' 45' ' ' ARG . . . -69.99 -36.09 74.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.823 HD11 ' O ' ' A' ' 34' ' ' ALA . 92.9 mt -60.37 -52.3 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -65.12 -61.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 14.4 tt0 -46.1 -42.33 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.8 t80 -59.84 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.47 -18.61 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 1.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 53' ' ' GLU . . . -74.7 -67.63 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.224 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -51.96 -33.95 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 1.0 109.396 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.495 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -69.21 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 1.0 110.001 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 61' ' ' LEU . 19.3 mt -54.32 -19.99 6.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.12 . . . . 1.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -40.51 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 88' ' ' TYR . 6.1 tp -91.12 127.34 51.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 1.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.5 pp -74.18 -175.71 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.74 103.69 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.28 153.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -169.55 131.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.514 HD12 HG21 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -70.07 154.21 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.534 HG22 ' OG1' ' A' ' 83' ' ' THR . 1.9 t -167.95 29.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 1.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -143.19 -100.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.326 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 2.8 mm-40 -158.88 167.04 30.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.909 HG22 ' HB2' ' A' ' 80' ' ' PHE . 89.1 t -126.93 105.48 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 109.208 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' A' ' 78' ' ' ALA . 15.4 mmt-85 -77.26 151.77 34.94 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.544 1.152 . . . . 1.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.636 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -158.26 124.59 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.708 HG12 ' H ' ' A' ' 75' ' ' ALA . 11.5 t -152.85 -132.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.757 ' CB ' HG12 ' B' ' 40' ' ' VAL . . . -36.79 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.597 ' C ' ' O ' ' A' ' 75' ' ' ALA . 1.4 m-20 22.96 50.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.744 ' CD ' HD21 ' B' ' 115' ' ' LEU . 31.8 tt0 -152.47 159.18 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 72' ' ' ARG . . . -145.19 125.05 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 99' ' ' ASP . . . -126.62 106.37 9.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.909 ' HB2' HG22 ' A' ' 71' ' ' VAL . 24.4 p90 -118.96 156.17 30.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.489 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -113.18 131.97 55.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 1.0 109.396 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 36.5 p90 -139.03 174.61 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.534 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.79 161.25 15.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 1.0 110.374 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.783 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -142.95 125.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 93' ' ' THR . 4.3 t -106.66 104.01 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.01 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 66.7 m-85 -88.11 160.59 17.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' H ' HD21 ' A' ' 61' ' ' LEU . 43.7 tt0 -154.92 93.95 1.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 1.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.718 ' HB3' HD11 ' A' ' 61' ' ' LEU . 2.7 p90 -131.55 127.84 38.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 48.42 57.58 6.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.185 . . . . 1.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.66 27.52 49.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 1.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 1.8 tpt180 -113.32 99.93 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 1.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -95.08 122.24 37.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 85' ' ' SER . 3.8 m -126.44 159.05 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 1.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.606 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -137.07 106.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.666 HG22 HG12 ' A' ' 121' ' ' ILE . 41.7 t -106.07 166.45 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -138.47 69.98 46.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.534 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 167.09 27.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 1.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.58 HD12 ' HG3' ' B' ' 72' ' ' ARG . 89.3 mt -119.99 115.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.654 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -86.6 142.57 28.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.537 ' C ' ' CD2' ' A' ' 100' ' ' HIS . 0.1 OUTLIER -142.48 112.23 6.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 1.0 109.54 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -105.13 135.07 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.06 111.06 19.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.936 ' CD1' HG22 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.04 141.66 58.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.033 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 110' ' ' VAL . 1.6 t30 -106.72 134.68 49.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 107' ' ' GLY . . . 45.51 29.43 2.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 1.0 111.011 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.55 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . . . 40.13 29.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 1.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' GLY . . . -119.76 -36.64 0.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 1.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -162.86 148.13 11.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 1.0 109.363 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.936 HG22 ' CD1' ' A' ' 103' ' ' PHE . 3.4 t -73.18 121.69 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.728 HG22 ' HB2' ' A' ' 31' ' ' ALA . 46.1 t -121.49 -2.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 1.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.68 128.79 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.584 ' CE ' ' CE2' ' A' ' 30' ' ' PHE . 4.0 ptm -152.0 126.89 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -150.09 167.5 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 110.302 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -125.96 177.91 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.908 HD22 ' HB2' ' B' ' 79' ' ' ALA . 0.8 OUTLIER -154.98 116.2 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.649 ' CE1' HG21 ' B' ' 74' ' ' VAL . 9.5 p90 -124.55 -172.48 2.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 1.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.71 173.95 39.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.555 1.159 . . . . 1.0 111.023 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.4 20.84 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 1.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -126.12 14.88 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -140.91 39.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 95' ' ' VAL . 10.2 mt -135.43 137.17 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -134.15 91.35 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 1.0 109.647 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.37 151.62 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.407 1.067 . . . . 1.0 109.289 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 125' ' ' ALA . . . 177.14 177.87 46.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.445 1.091 . . . . 1.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 1.0 109.235 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.498 0.19 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 63.7 136.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.612 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -163.91 154.72 13.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 110.397 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -30.86 6.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 1.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 8.8 mm-40 -67.99 -46.19 72.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.0 110.344 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.644 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.2 t60 -69.51 -43.21 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.447 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 52.9 mtm -62.82 -62.85 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.727 HG23 ' HB ' ' B' ' 71' ' ' VAL . 7.9 m -54.23 -39.25 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -66.49 -36.2 82.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 6' ' ' HIS . 3.0 t -64.27 -39.67 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.593 ' O ' HG23 ' B' ' 15' ' ' VAL . 18.4 t -67.81 -44.21 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.85 -51.01 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -60.86 -37.31 81.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 110.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.492 ' HA ' HD13 ' B' ' 29' ' ' LEU . 13.0 t80 -65.17 -46.67 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 11' ' ' VAL . 72.0 t -58.03 -60.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.49 45.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 1.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -52.99 -42.03 65.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.51 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.3 tp -56.06 -53.56 55.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -63.47 -21.8 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.278 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.19 56.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 1.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.86 28.79 73.94 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.53 ' O ' HD12 ' B' ' 26' ' ' ILE . 9.6 t0 -86.56 85.86 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 0.73 . . . . 1.0 109.378 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.593 HD21 HD12 ' B' ' 59' ' ' LEU . 20.9 mt -68.92 -47.21 66.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.07 . . . . 1.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.88 -57.46 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 1.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.94 -59.49 10.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 56.9 mt -41.95 -38.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.587 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 4.8 t -67.51 -49.61 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 1.0 109.396 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -63.63 -12.9 37.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.61 ' CD2' HG13 ' B' ' 10' ' ' VAL . 0.3 OUTLIER -63.05 -43.32 98.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 1.067 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.0 OUTLIER -117.06 -177.49 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -49.63 166.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.6 ' O ' HG22 ' B' ' 48' ' ' THR . 2.8 m-20 -87.23 -22.24 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -111.26 4.83 19.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.96 ' HB1' ' HE1' ' B' ' 112' ' ' MET . . . -41.05 150.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.617 HG22 ' HB2' ' B' ' 46' ' ' SER . 18.7 p -116.52 109.56 17.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 1.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.846 HG22 ' SD ' ' B' ' 112' ' ' MET . 46.3 t -91.86 137.16 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -124.36 71.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 1.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.587 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -134.06 142.24 42.55 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.587 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.6 Cg_endo -74.94 -70.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.03 -2.488 . . . . 1.0 111.03 -0.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.757 HG12 ' CB ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -154.3 150.93 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 155.29 -59.01 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.9 m 150.08 -178.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 0.79 . . . . 1.0 110.043 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 49.11 88.99 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 143.99 30.12 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 1.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.604 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 0.1 OUTLIER -79.45 100.56 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.617 ' HB2' HG22 ' B' ' 35' ' ' THR . 7.3 p -96.82 123.83 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.945 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 50' ' ' ALA . . . 119.39 123.77 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.6 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.1 OUTLIER -41.94 -27.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 1.0 110.412 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -68.62 -48.7 63.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -68.64 -39.65 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 1.067 HG21 ' CE1' ' B' ' 30' ' ' PHE . 81.8 mt -59.04 -59.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.424 ' HB2' HG21 ' B' ' 27' ' ' VAL . 3.4 tmm_? -64.11 -28.77 70.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -57.39 -58.18 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.516 ' CD2' ' NH2' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -65.92 -44.46 85.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 1.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.542 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.4 m-85 -58.08 -31.28 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' B' ' 59' ' ' LEU . . . -79.15 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -45.02 -27.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 56' ' ' ALA . 3.1 t -87.8 -38.76 15.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 1.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.593 HD12 HD21 ' B' ' 23' ' ' LEU . 0.3 OUTLIER -61.08 -21.74 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 1.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -23.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.533 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -104.35 140.41 21.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 57.9 4.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 1.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.685 ' CD2' HG23 ' B' ' 84' ' ' VAL . 2.8 mt -53.54 156.5 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -127.53 66.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.72 HG13 ' CD2' ' B' ' 82' ' ' PHE . 72.1 t -76.66 143.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 83' ' ' THR . 7.1 pt-20 -168.23 135.16 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.707 HD23 ' O ' ' B' ' 81' ' ' ALA . 0.6 OUTLIER -67.43 141.35 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.552 HG21 HG23 ' B' ' 83' ' ' THR . 0.9 OUTLIER -131.64 7.84 4.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 1.0 110.376 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.776 ' HG3' ' HB3' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -141.57 -83.5 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 1.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.638 ' CB ' HH21 ' B' ' 72' ' ' ARG . 0.5 OUTLIER 171.2 -173.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 1.0 110.24 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.933 HG22 ' CB ' ' B' ' 80' ' ' PHE . 79.3 t -113.82 140.34 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.638 HH21 ' CB ' ' B' ' 70' ' ' GLU . 3.0 mmt85 -107.39 81.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.235 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.447 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -83.46 153.46 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 40' ' ' VAL . 2.3 p -175.51 -148.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.802 ' N ' HG13 ' B' ' 74' ' ' VAL . . . -38.67 93.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 1.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.6 OUTLIER 31.97 41.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.573 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 1.1 tt0 -135.36 159.49 41.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' B' ' 101' ' ' PHE . . . -150.6 88.57 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.908 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -100.23 93.61 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.933 ' CB ' HG22 ' B' ' 71' ' ' VAL . 43.2 p90 -108.99 156.8 19.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.776 ' HB3' ' HG3' ' B' ' 69' ' ' GLN . . . -118.34 136.89 53.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.72 ' CD2' HG13 ' B' ' 65' ' ' VAL . 45.9 p90 -145.71 168.92 19.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 1.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.552 HG23 HG21 ' B' ' 68' ' ' THR . 0.1 OUTLIER -105.07 163.04 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 110.379 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.685 HG23 ' CD2' ' B' ' 63' ' ' LEU . 0.4 OUTLIER -142.52 101.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.0 109.336 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.452 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -95.21 125.04 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 3.5 p90 -144.72 137.81 26.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 111.034 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 22.7 tt0 -96.21 116.78 29.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -141.13 141.07 34.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 56.67 50.22 13.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 1.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.35 21.24 12.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 1.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.1 OUTLIER -125.28 166.47 16.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 1.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.931 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 23.3 mtmm -127.94 106.2 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.547 HG23 ' HA ' ' B' ' 123' ' ' ALA . 5.2 m -104.79 145.84 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.447 HG13 ' O ' ' B' ' 94' ' ' VAL . 1.7 p -130.74 116.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 1.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.965 HG22 HG23 ' B' ' 121' ' ' ILE . 46.7 t -103.31 167.27 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.515 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -138.68 70.49 44.36 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.548 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.97 162.28 37.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 1.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 7.5 mt -123.84 123.49 67.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.1 OUTLIER -101.56 140.52 35.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -131.58 99.51 4.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.457 1.098 . . . . 1.0 109.59 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.473 ' HB2' ' HB3' ' B' ' 78' ' ' ALA . 12.6 m-85 -88.02 144.91 26.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -126.1 129.55 49.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 1.0 110.328 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.594 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 10.6 m-85 -105.31 146.51 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' B' ' 106' ' ' ALA . 19.1 p-10 -160.52 -164.34 1.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 1.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.83 -75.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.156 . . . . 1.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' B' ' 104' ' ' ASN . . . -145.91 19.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 1.0 109.298 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.6 39.68 3.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 1.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 143.57 48.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.594 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 18.9 t -77.59 116.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 1.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.509 ' C ' ' CE ' ' B' ' 112' ' ' MET . 59.5 t -127.93 2.2 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.115 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' SER . . . . . 0.515 ' N ' ' CE ' ' B' ' 112' ' ' MET . 0.4 OUTLIER -144.5 116.08 8.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 1.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.96 ' HE1' ' HB1' ' B' ' 34' ' ' ALA . 0.0 OUTLIER -128.03 125.18 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 1.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -124.26 120.7 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.367 1.042 . . . . 1.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -116.73 151.11 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.744 HD21 ' CD ' ' A' ' 77' ' ' GLU . 5.3 mp -134.27 124.82 26.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -143.45 154.34 43.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 1.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.636 ' HA2' HD11 ' B' ' 121' ' ' ILE . . . 90.57 171.96 44.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER 72.29 61.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 119' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER 90.22 -20.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 1.0 109.353 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.502 HD21 ' NE ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -69.27 -14.16 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 1.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.965 HG23 HG22 ' B' ' 95' ' ' VAL . 0.4 OUTLIER -92.9 140.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 1.0 109.202 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 122' ' ' HIS . . . . . 0.405 ' HB2' ' CG1' ' B' ' 94' ' ' VAL . 62.7 m-70 -135.61 88.63 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 109.586 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.547 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -58.67 147.12 33.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' B' ' 92' ' ' LYS . . . -163.31 173.59 39.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 1.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.931 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.479 0.18 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -49.98 178.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 1.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.663 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -147.99 154.96 43.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.04 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.89 -40.3 96.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.663 ' HB2' HG23 ' A' ' 3' ' ' THR . 4.4 t-160 -72.95 -47.99 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.622 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.751 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.05 -52.37 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 1.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -61.88 -50.61 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 1.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.98 -35.03 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.505 HG13 HD21 ' A' ' 29' ' ' LEU . 3.8 t -65.91 -51.6 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' A' ' 80' ' ' PHE . 2.9 t -49.35 -49.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -43.91 98.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -59.14 -37.95 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.9 -52.44 36.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 1.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.15 -52.14 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 18' ' ' LEU . . . -60.81 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.603 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -42.44 -31.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' ALA . 14.1 tp -68.91 -59.34 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.65 -17.15 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.36 -32.42 24.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.75 32.58 23.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 1.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.675 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.9 m-20 -84.38 94.72 8.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 mt -71.85 -56.9 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -62.43 -41.43 98.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -63.42 -63.51 4.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 22' ' ' ASP . 46.8 mt -47.42 -38.06 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 1.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 23' ' ' LEU . 55.7 t -67.18 -37.91 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -74.05 -17.17 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD21 HG13 ' A' ' 10' ' ' VAL . 6.9 tt -60.47 -46.81 88.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 6.9 p90 -112.49 -176.37 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.664 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -50.54 179.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 1.028 ' O ' HG23 ' A' ' 48' ' ' THR . 4.1 m-20 -104.34 -18.5 14.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.35 32.78 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.664 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -75.73 161.42 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.856 HG22 ' HB3' ' A' ' 46' ' ' SER . 39.2 p -106.24 126.06 51.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 1.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.475 ' CG2' HG12 ' A' ' 51' ' ' ILE . 60.8 t -100.07 137.36 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 15.1 mt-10 -132.7 68.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.484 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -115.38 137.58 23.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.01 -44.39 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.014 -2.494 . . . . 1.0 110.941 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.094 ' CG2' HG11 ' B' ' 74' ' ' VAL . 2.4 t -117.44 -174.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 1.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.792 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -51.26 -20.63 5.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.138 . . . . 1.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -41.23 109.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 1.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 41.53 83.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 110.306 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -176.47 2.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 1.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -162.24 -178.52 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 1.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.856 ' HB3' HG22 ' A' ' 35' ' ' THR . 47.7 p -173.21 159.01 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 100.06 122.45 4.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.028 HG23 ' O ' ' A' ' 32' ' ' ASP . 28.7 p -41.7 -27.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 1.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -59.76 -62.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -63.32 -49.19 74.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 1.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.557 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 6.1 mt -49.61 -36.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -71.52 -71.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.85 -31.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.51 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 4.1 m-85 -70.82 -62.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.791 ' O ' HD12 ' A' ' 59' ' ' LEU . 9.4 m-85 -60.99 -14.23 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.63 -67.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' PHE . 6.8 p-10 -56.71 -21.53 28.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.0 m -82.63 -47.56 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 55' ' ' TYR . 9.1 mt -63.11 -22.25 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.37 -21.35 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.13 139.92 21.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.534 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 55.34 3.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 1.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.892 HD21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -81.08 138.56 35.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.853 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -118.29 99.13 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.892 HG23 HD21 ' A' ' 63' ' ' LEU . 3.7 t -98.1 141.01 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -163.65 134.01 4.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 1.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' A' ' 82' ' ' PHE . 1.6 pp -71.07 141.65 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.486 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.7 t -164.01 42.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.544 HE22 ' HB1' ' A' ' 96' ' ' ALA . 2.5 mt-30 -143.25 -59.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.823 ' HB3' HH21 ' A' ' 72' ' ' ARG . 0.7 OUTLIER 161.61 160.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.285 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.919 HG22 ' HB2' ' A' ' 80' ' ' PHE . 61.9 t -129.82 116.67 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.823 HH21 ' HB3' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -103.25 107.15 17.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.751 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -100.43 126.56 46.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.51 HG22 ' CA ' ' B' ' 117' ' ' GLY . 0.9 OUTLIER -128.19 -146.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -49.59 97.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 39.51 30.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.538 ' OE1' HD21 ' B' ' 115' ' ' LEU . 6.6 mt-10 -123.88 157.76 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -152.32 101.14 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 99' ' ' ASP . . . -111.65 105.68 14.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.919 ' HB2' HG22 ' A' ' 71' ' ' VAL . 38.4 p90 -121.07 161.75 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB3' ' CB ' ' A' ' 69' ' ' GLN . . . -114.53 130.79 56.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.675 ' CD2' HG13 ' A' ' 65' ' ' VAL . 51.2 p90 -136.7 167.78 20.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.486 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -102.6 158.77 16.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.413 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.683 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -140.3 105.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 t -97.18 132.74 42.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.952 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 7.5 p90 -156.84 147.7 21.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -105.14 119.19 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.57 145.56 36.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 48.76 51.29 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.86 37.11 14.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 1.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 139.32 30.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.736 ' NZ ' ' HB2' ' A' ' 125' ' ' ALA . 4.4 ptpp? -99.45 120.28 39.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.569 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 26.1 m -125.49 144.79 50.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -128.88 114.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.749 HG22 HG23 ' A' ' 121' ' ' ILE . 15.5 t -95.94 168.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.544 ' HB1' HE22 ' A' ' 69' ' ' GLN . . . -142.54 66.66 18.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.575 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.95 169.7 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.435 HG21 ' CZ ' ' B' ' 72' ' ' ARG . 4.2 mt -121.78 118.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 1.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -91.1 148.37 22.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.533 ' HE2' ' CD ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -140.56 118.71 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -107.57 140.01 41.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -126.05 100.07 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.705 ' CE1' HG23 ' A' ' 109' ' ' VAL . 2.8 m-85 -72.52 146.02 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -149.4 -160.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 59.97 -139.39 48.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 1.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.92 31.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 1.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.02 60.71 0.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 1.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -155.98 139.51 15.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 1.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.705 HG23 ' CE1' ' A' ' 103' ' ' PHE . 19.7 t -65.92 120.62 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 31' ' ' ALA . 66.4 t -127.82 4.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.81 130.06 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 1.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.424 ' SD ' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -145.48 143.0 29.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 110.965 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.477 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 43.9 ttp180 -148.88 147.08 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -116.02 178.76 4.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.879 HD21 ' OE2' ' B' ' 77' ' ' GLU . 1.0 OUTLIER -151.05 113.39 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 3.8 p90 -124.16 124.09 41.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.432 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -94.84 -175.65 38.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 1.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.04 2.27 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 1.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HE2' ' CG ' ' B' ' 70' ' ' GLU . 0.0 OUTLIER -116.49 12.39 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -114.62 26.06 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.749 HG23 HG22 ' A' ' 95' ' ' VAL . 1.7 mp -123.5 137.94 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -129.82 99.79 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.85 156.54 20.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 125' ' ' ALA . . . -170.38 172.75 44.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.736 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.48 0.181 . . . . 1.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 m120 55.98 177.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -104.52 155.47 37.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 1.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.17 8.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.449 1.763 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -44.7 68.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.748 ' O ' HG23 ' B' ' 10' ' ' VAL . 85.0 t60 -69.51 -46.01 67.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 1.0 109.599 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.802 ' HE2' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -60.04 -59.54 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.963 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.572 HG23 ' HB ' ' B' ' 71' ' ' VAL . 23.7 m -54.69 -42.33 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 6' ' ' HIS . 24.8 t -58.69 -42.32 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.668 HG11 ' CD1' ' B' ' 80' ' ' PHE . 7.0 t -64.27 -45.84 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -41.14 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.45 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 5.3 t80 -58.24 -53.38 58.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.14 -56.15 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.99 -44.56 15.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.11 92.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.879 HD12 HD11 ' B' ' 59' ' ' LEU . 27.0 tp -57.15 -47.55 80.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -62.78 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.06 -14.02 62.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 1.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 77.37 21.56 72.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.628 ' O ' HD12 ' B' ' 26' ' ' ILE . 1.9 m-20 -68.86 73.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.729 ' CD1' ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -59.08 -46.9 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 1.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.47 -63.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.89 -35.18 4.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.628 HD12 ' O ' ' B' ' 22' ' ' ASP . 38.1 mt -72.4 -43.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.562 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 25.1 t -68.43 -15.41 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.83 -24.48 14.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -51.48 -53.4 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 24.0 p90 -100.05 -174.0 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 1.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -50.77 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.797 ' O ' HG23 ' B' ' 48' ' ' THR . 1.5 m-20 -109.7 -11.79 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -122.52 15.35 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.07 167.39 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.559 HG22 ' CB ' ' B' ' 46' ' ' SER . 73.2 p -122.94 129.57 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.737 HG23 ' CD1' ' B' ' 51' ' ' ILE . 38.7 t -105.04 148.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 2.6 mt-10 -132.98 61.97 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.49 ' CB ' ' HB3' ' B' ' 114' ' ' ALA . 38.1 t0 -141.15 129.58 12.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.0 -143.7 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.973 -2.511 . . . . 1.0 111.006 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' B' ' 114' ' ' ALA . 6.6 t -116.34 150.87 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 176.96 -66.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 1.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.66 54.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 1.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.83 86.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.2 OUTLIER -138.44 154.34 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 110.254 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.559 ' CB ' HG22 ' B' ' 35' ' ' THR . 60.2 p -143.5 132.76 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.83 147.68 16.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.797 HG23 ' O ' ' B' ' 32' ' ' ASP . 30.2 p -62.69 -12.91 26.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 1.0 110.421 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.0 62.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.737 ' CD1' HG23 ' B' ' 36' ' ' VAL . 4.1 mt -52.64 -52.32 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.532 ' HG3' HD12 ' B' ' 23' ' ' LEU . 50.3 ttm-85 -66.09 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 26.6 mt-10 -41.52 -30.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -75.33 -66.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -47.15 -45.82 22.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.729 ' HB2' ' CD1' ' B' ' 23' ' ' LEU . . . -65.93 -50.57 63.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 10.2 t30 -50.95 -27.54 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -55.62 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.879 HD11 HD12 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -53.66 -19.75 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -39.58 -29.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.548 HD23 ' HD2' ' B' ' 86' ' ' PHE . 15.7 tp -94.24 136.99 22.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.1 Cg_endo -75.04 55.69 4.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 1.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.906 HD23 ' CE2' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.51 -175.82 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 1.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.67 103.45 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 1.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 1.002 ' CG2' HG12 ' B' ' 84' ' ' VAL . 61.9 t -91.3 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.431 ' OE2' ' N ' ' B' ' 67' ' ' LEU . 12.1 tp10 -161.88 136.74 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' ' OE2' ' B' ' 66' ' ' GLU . 11.8 mt -71.22 159.58 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' B' ' 68' ' ' THR . 1.3 t 179.68 35.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 110.43 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.506 ' CB ' ' HB3' ' B' ' 81' ' ' ALA . 0.3 OUTLIER -144.49 -92.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.457 ' CG ' ' HE2' ' A' ' 119' ' ' LYS . 2.8 tm-20 -172.65 169.12 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.939 HG22 ' CB ' ' B' ' 80' ' ' PHE . 60.8 t -135.42 93.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.759 ' NE ' ' HB3' ' B' ' 79' ' ' ALA . 1.5 ptp180 -76.23 153.62 35.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.802 ' HB1' ' HE2' ' B' ' 7' ' ' MET . . . -148.87 135.19 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 1.094 HG11 ' CG2' ' A' ' 40' ' ' VAL . 1.8 t -152.64 -139.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.602 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -35.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ASN . . . . . 0.602 ' C ' ' O ' ' B' ' 75' ' ' ALA . 4.5 t-20 23.96 52.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.879 ' OE2' HD21 ' A' ' 115' ' ' LEU . 6.6 pt-20 -152.32 154.63 36.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' B' ' 72' ' ' ARG . . . -145.3 131.51 19.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.759 ' HB3' ' NE ' ' B' ' 72' ' ' ARG . . . -131.38 120.85 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.939 ' CB ' HG22 ' B' ' 71' ' ' VAL . 28.0 p90 -127.59 158.97 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' B' ' 69' ' ' GLN . . . -117.48 128.78 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.426 ' HD2' HG13 ' B' ' 65' ' ' VAL . 35.4 p90 -135.15 173.47 11.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.493 ' O ' HG13 ' B' ' 65' ' ' VAL . 0.0 OUTLIER -110.23 158.9 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 1.002 HG12 ' CG2' ' B' ' 65' ' ' VAL . 2.2 m -143.61 113.84 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 15.0 m -98.07 123.8 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.906 ' CE2' HD23 ' B' ' 63' ' ' LEU . 21.5 m-85 -118.03 168.88 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.477 ' O ' HD11 ' B' ' 61' ' ' LEU . 24.7 tt0 -148.51 131.81 16.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 1.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.404 ' HB3' ' CB ' ' B' ' 91' ' ' ARG . 0.3 OUTLIER -126.4 78.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 1.0 110.973 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' B' ' 88' ' ' TYR . 12.5 pt20 38.58 78.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.93 -28.56 12.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 1.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.0 OUTLIER -88.01 160.05 18.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 1.0 110.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' B' ' 86' ' ' PHE . 6.5 tttt -156.15 146.36 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' B' ' 85' ' ' SER . 43.9 m -138.29 163.64 31.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 1.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.763 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.9 t -145.34 85.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.932 HG12 ' HD3' ' B' ' 97' ' ' PRO . 39.7 t -87.17 144.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -123.38 71.6 46.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' PRO . . . . . 0.932 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.4 Cg_endo -75.02 164.2 33.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' B' ' 81' ' ' ALA . 4.8 mt -123.3 114.17 40.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.617 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -81.92 150.77 27.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 1.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -149.27 95.19 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.636 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' B' ' 112' ' ' MET . 7.4 m-30 -91.22 153.68 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.461 ' CZ ' ' HD2' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -126.24 112.98 16.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.699 ' CD2' HG22 ' B' ' 109' ' ' VAL . 6.0 m-85 -85.78 152.32 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' B' ' 103' ' ' PHE . 6.4 m-20 156.32 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 1.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' B' ' 110' ' ' VAL . . . 35.83 -126.97 0.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 1.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.78 16.34 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.76 . . . . 1.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.03 42.02 0.57 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 1.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.77 -175.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.699 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -71.29 118.41 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.573 ' O ' HG12 ' B' ' 110' ' ' VAL . 38.9 t -128.32 5.41 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.2 p -162.11 150.86 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.56 ' HB2' ' CD1' ' B' ' 101' ' ' PHE . 3.3 ptp -170.04 146.69 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 1.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.469 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.8 OUTLIER -129.3 166.74 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 110.255 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ALA . . . . . 0.491 ' O ' ' CG2' ' B' ' 40' ' ' VAL . . . -132.14 104.23 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.538 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -79.45 92.72 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' B' ' 116' ' ' PHE . 0.5 OUTLIER -112.75 79.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.51 ' CA ' HG22 ' A' ' 74' ' ' VAL . . . -68.12 -173.97 7.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.484 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -114.94 58.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 1.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 119' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' B' ' 120' ' ' ASN . 3.3 ttmm -157.24 33.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.632 ' H ' HD12 ' B' ' 121' ' ' ILE . 4.0 m-80 -158.91 29.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.866 HG23 HG22 ' B' ' 95' ' ' VAL . 4.2 mp -109.96 137.09 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.58 91.17 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.26 152.21 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.78 179.61 48.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.46 1.1 . . . . 1.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 1.0 109.298 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 76' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.0 p -100.01 155.07 36.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 1.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -27.42 10.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 9.8 pt-20 -68.52 -46.08 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 110.356 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -70.27 -48.99 54.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.744 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 65.3 mtm -60.4 -60.29 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 36.7 m -54.19 -42.73 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 1.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.62 -41.07 80.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.58 HG13 HD21 ' A' ' 29' ' ' LEU . 2.8 t -62.46 -46.72 95.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.498 HG22 ' CE1' ' A' ' 80' ' ' PHE . 3.4 t -57.85 -40.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.8 -58.82 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 1.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -53.01 -34.66 57.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.26 -47.03 71.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.14 -50.14 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 1.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.73 29.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -40.1 57.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.648 ' HA ' HD11 ' A' ' 26' ' ' ILE . 12.0 tp -58.23 -55.23 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -60.79 -21.9 63.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.21 36.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.32 19.31 66.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.13 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.657 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -77.79 94.16 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 1.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -75.62 -50.83 14.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 1.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.73 -55.71 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -57.31 20.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 22' ' ' ASP . 48.3 mt -46.24 -39.14 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.433 0.725 . . . . 1.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.835 HG13 HG22 ' A' ' 48' ' ' THR . 3.4 t -65.86 -44.25 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 1.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -16.86 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.58 HD21 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -57.8 -43.03 85.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.958 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.2 p90 -116.5 -176.09 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -50.18 178.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.597 ' HA ' HG23 ' A' ' 48' ' ' THR . 2.1 p-10 -105.01 -17.85 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -117.91 25.43 10.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -74.7 170.06 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.817 HG22 ' CB ' ' A' ' 46' ' ' SER . 41.6 p -125.46 125.88 44.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 110.405 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.811 HG23 HG12 ' A' ' 51' ' ' ILE . 24.0 t -107.85 148.01 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.76 102.57 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.603 ' O ' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -143.0 121.83 7.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.545 ' HB2' ' CD1' ' A' ' 116' ' ' PHE . 18.2 Cg_endo -74.98 -84.3 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.978 -2.509 . . . . 1.0 110.999 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.699 HG12 ' HB2' ' B' ' 75' ' ' ALA . 0.6 OUTLIER -142.9 145.12 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.53 25.56 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.473 ' CB ' ' HD2' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -112.61 49.88 0.9 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.533 0.784 . . . . 1.0 110.005 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 59.33 95.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 143.9 29.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 1.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.625 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -101.73 160.1 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.384 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.817 ' CB ' HG22 ' A' ' 35' ' ' THR . 87.7 p -147.9 136.31 21.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 110.03 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . 96.17 134.39 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 1.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.835 HG22 HG13 ' A' ' 27' ' ' VAL . 8.6 p -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 1.0 110.414 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -66.83 -55.33 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 109.368 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -67.62 -54.48 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.958 HG21 ' CE1' ' A' ' 30' ' ' PHE . 98.8 mt -44.84 -45.4 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 1.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -68.42 -41.18 80.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.22 -48.38 73.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 38' ' ' ASP . 0.1 OUTLIER -69.09 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.7 ' O ' HD12 ' A' ' 59' ' ' LEU . 5.8 m-85 -42.91 -30.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -75.47 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 1.0 109.219 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -54.3 -20.33 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 1.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -59.42 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.3 mt -56.51 -19.01 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -45.19 -26.63 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.609 HD12 ' HD2' ' A' ' 62' ' ' PRO . 12.2 tp -99.57 133.51 21.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.07 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -131.38 167.42 19.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.09 113.01 10.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 1.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' A' ' 82' ' ' PHE . 13.5 t -86.35 149.06 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' OG1' ' A' ' 83' ' ' THR . 8.2 pt-20 -157.59 143.08 17.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 1.0 110.247 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 67' ' ' LEU . 17.1 mt -73.32 139.22 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.626 HG21 HG23 ' A' ' 83' ' ' THR . 3.5 t -141.16 14.15 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.697 ' HG3' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -148.16 -88.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 110.29 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' OE2' ' CD ' ' B' ' 119' ' ' LYS . 0.0 OUTLIER 173.46 -174.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.362 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.917 HG22 ' CB ' ' A' ' 80' ' ' PHE . 73.9 t -115.43 148.19 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.967 ' HD2' HD12 ' B' ' 98' ' ' ILE . 0.1 OUTLIER -112.99 79.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.744 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -88.64 133.04 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.852 HG11 HG21 ' B' ' 40' ' ' VAL . 1.5 t -148.62 -147.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 1.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.534 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -50.46 100.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 2' ' ' ASN . 1.5 t-20 37.54 34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 75' ' ' ALA . 13.7 mt-10 -127.77 154.24 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.382 1.052 . . . . 1.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.08 88.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 72' ' ' ARG . . . -108.22 100.55 9.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.917 ' CB ' HG22 ' A' ' 71' ' ' VAL . 53.3 p90 -112.38 162.97 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.697 ' HB3' ' HG3' ' A' ' 69' ' ' GLN . . . -120.08 129.39 54.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CD1' HG13 ' A' ' 65' ' ' VAL . 47.8 p90 -136.11 162.74 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.626 HG23 HG21 ' A' ' 68' ' ' THR . 0.1 OUTLIER -102.63 156.11 17.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 1.0 110.395 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -130.93 116.95 35.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 1.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.66 120.58 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 1.0 110.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.748 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.5 p90 -153.22 138.54 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 1.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.304 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.486 ' C ' ' HG1' ' A' ' 93' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.602 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 88.3 m -156.15 145.24 20.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 110.412 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -132.48 117.79 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.748 HG23 ' CE1' ' A' ' 86' ' ' PHE . 4.9 t -98.04 165.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.633 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -143.42 64.67 14.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 96' ' ' ALA . 18.1 Cg_endo -75.07 163.06 35.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 1.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.611 HD12 ' HG3' ' B' ' 72' ' ' ARG . 5.5 mt -115.86 119.07 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -88.3 123.03 32.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 1.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -114.21 105.78 13.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 109.574 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -111.44 133.28 53.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.479 ' HG3' ' CB ' ' A' ' 111' ' ' SER . 4.7 ptm180 -115.15 117.28 30.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CE2' HG22 ' A' ' 109' ' ' VAL . 6.5 m-85 -89.13 147.23 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.621 HD21 HG21 ' A' ' 110' ' ' VAL . 39.9 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.552 HG22 ' CE2' ' A' ' 103' ' ' PHE . 2.2 t -74.52 120.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 1.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 104' ' ' ASN . 77.7 t -117.76 -5.82 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -142.06 131.96 24.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.039 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.626 ' SD ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -143.0 117.35 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 110.957 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.5 ttm105 -132.97 130.76 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.206 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.85 172.32 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' B' ' 79' ' ' ALA . 0.4 OUTLIER -144.56 104.74 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -123.55 129.58 51.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.049 . . . . 1.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -104.97 175.08 21.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -37.02 64.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 1.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 12.5 12.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.633 ' OD1' ' HB3' ' A' ' 96' ' ' ALA . 12.2 t-20 -97.79 10.2 40.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.745 HG13 HG13 ' A' ' 95' ' ' VAL . 4.4 mt -124.76 146.64 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -133.37 102.4 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 109.653 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.68 168.36 18.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.5 -178.66 40.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 1.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.577 0.81 . . . . 1.0 109.262 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.406 0.146 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 p30 167.25 124.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 1.0 109.259 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.92 154.7 40.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 1.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.59 14.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 1.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -55.93 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.359 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -68.05 -42.41 80.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 1.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.586 ' HG2' ' CZ ' ' B' ' 103' ' ' PHE . 12.2 mtm -57.95 -51.61 68.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 1.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 78.5 m -58.58 -49.98 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 1.0 110.415 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.14 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 t -59.17 -46.48 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.616 1.198 . . . . 1.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.758 HG21 ' HB1' ' B' ' 78' ' ' ALA . 7.4 t -54.2 -42.12 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.77 -48.57 81.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -42.63 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.454 ' HH ' ' HH ' ' B' ' 55' ' ' TYR . 80.6 t80 -60.69 -50.86 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.22 -52.8 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.68 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 1.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' B' ' 26' ' ' ILE . . . -62.97 -28.28 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.716 ' HA ' HD11 ' B' ' 26' ' ' ILE . 25.9 tp -72.59 -56.68 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 1.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -53.95 -49.27 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.562 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -58.23 -26.63 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.467 ' CA ' HD22 ' B' ' 59' ' ' LEU . . . 68.7 50.87 33.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 1.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.562 ' OD2' ' HB3' ' B' ' 20' ' ' ALA . 1.4 p-10 -109.46 97.05 6.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 27' ' ' VAL . 5.7 mt -64.78 -45.46 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -45.05 73.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.97 -65.44 2.7 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 1.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' B' ' 18' ' ' LEU . 60.2 mt -43.55 -37.67 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 23' ' ' LEU . 37.4 t -68.38 -44.39 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -68.84 -12.81 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 1.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.6 tt -72.4 -66.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 1.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.66 ' CZ ' HG21 ' B' ' 51' ' ' ILE . 49.4 p90 -87.01 174.51 8.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.64 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -47.07 172.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.698 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -100.14 -13.22 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -121.42 17.45 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.98 179.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.631 HG22 ' CB ' ' B' ' 46' ' ' SER . 48.9 p -133.29 124.35 27.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 1.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.65 HG23 HG12 ' B' ' 51' ' ' ILE . 65.1 t -97.73 138.28 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 35.6 tt0 -139.63 67.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 1.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' B' ' 54' ' ' PHE . 0.0 OUTLIER -140.09 141.8 28.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 1.0 109.349 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.536 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.0 Cg_endo -75.05 -66.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.015 -2.494 . . . . 1.0 110.947 0.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.852 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -157.46 -175.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 1.0 109.24 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.88 2.7 8.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 1.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.05 72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 0.736 . . . . 1.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -168.98 64.0 0.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.0 144.17 29.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 1.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.483 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 10.0 mtt180 -117.37 141.73 47.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.631 ' CB ' HG22 ' B' ' 35' ' ' THR . 17.6 p -116.23 148.49 40.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 1.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.4 148.04 23.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 1.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.698 HG23 ' O ' ' B' ' 32' ' ' ASP . 30.2 p -64.66 -17.24 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 1.0 110.358 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.485 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.58 -61.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.483 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -67.12 -37.2 83.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.66 HG21 ' CZ ' ' B' ' 30' ' ' PHE . 28.0 mt -62.62 -65.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' B' ' 48' ' ' THR . 0.0 OUTLIER -53.8 -44.19 69.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 6.4 mm-40 -50.9 -49.14 60.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 1.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' B' ' 38' ' ' ASP . 15.5 t80 -68.81 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.576 ' O ' HD12 ' B' ' 59' ' ' LEU . 0.9 OUTLIER -42.45 -28.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 110.999 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.94 -56.3 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 10.2 t-20 -55.24 -23.1 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 23.4 t -81.17 -58.87 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.576 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.9 OUTLIER -56.49 -18.77 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -45.17 -26.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' B' ' 59' ' ' LEU . 10.9 tp -90.19 132.37 36.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.1 Cg_endo -75.01 75.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.396 1.735 . . . . 1.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.519 ' O ' HD12 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.21 170.27 8.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.11 105.92 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' B' ' 82' ' ' PHE . 4.2 t -82.76 142.37 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 1.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -161.14 141.2 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.255 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.406 HD23 ' O ' ' B' ' 81' ' ' ALA . 0.2 OUTLIER -70.14 152.73 43.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -154.76 22.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 110.34 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.772 ' HG3' ' HB3' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -147.99 -86.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.366 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.424 ' HB3' ' NH2' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -179.22 -177.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.92 HG22 ' CB ' ' B' ' 80' ' ' PHE . 70.4 t -123.66 139.1 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.611 ' HG3' HD12 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -110.84 83.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 1.0 110.331 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.54 ' HB1' ' HE3' ' B' ' 7' ' ' MET . . . -83.63 101.9 11.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 2.5 t -152.56 158.85 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.25 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.699 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . 55.06 55.16 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 1.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 75' ' ' ALA . 20.7 p30 38.95 30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' B' ' 74' ' ' VAL . 6.0 pt-20 -145.54 140.56 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.758 ' HB1' HG21 ' B' ' 11' ' ' VAL . . . -98.63 124.53 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.683 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -128.07 88.79 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.92 ' CB ' HG22 ' B' ' 71' ' ' VAL . 38.6 p90 -110.78 172.7 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.772 ' HB3' ' HG3' ' B' ' 69' ' ' GLN . . . -124.65 132.01 53.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.662 ' HD2' HG13 ' B' ' 65' ' ' VAL . 38.6 p90 -136.88 169.96 16.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 1.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -113.8 165.38 12.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 1.0 110.399 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -137.61 114.79 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 1.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -88.67 126.97 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.932 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.831 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.2 p90 -158.47 136.55 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 1.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.253 -0.277 . . . . 1.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -133.15 143.12 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 26.0 m -155.73 143.16 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.351 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.407 HG13 ' ND1' ' B' ' 122' ' ' HIS . 1.4 p -135.93 120.05 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.831 HG23 ' CE1' ' B' ' 86' ' ' PHE . 20.5 t -97.57 162.69 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -138.82 68.87 43.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.521 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 1.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.967 HD12 ' HD2' ' A' ' 72' ' ' ARG . 1.3 mt -113.33 124.35 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 0.3 OUTLIER -96.09 118.57 32.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' B' ' 100' ' ' HIS . 0.2 OUTLIER -135.05 115.21 13.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.717 ' HZ ' HG22 ' B' ' 11' ' ' VAL . 4.3 p90 -146.63 158.38 43.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.668 ' O ' HG13 ' B' ' 109' ' ' VAL . 4.0 mtm105 -107.04 151.67 25.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 110.216 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.718 ' CB ' HG22 ' B' ' 109' ' ' VAL . 3.2 p90 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' B' ' 108' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.3 -0.629 . . . . 1.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.718 HG22 ' CB ' ' B' ' 103' ' ' PHE . 1.8 t -90.82 124.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.637 HG22 ' HB2' ' B' ' 31' ' ' ALA . 59.7 t -118.82 -8.45 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -149.37 133.73 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 110.074 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.489 ' CB ' ' HB3' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -147.74 146.73 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 111.031 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' B' ' 114' ' ' ALA . 0.6 OUTLIER -152.82 140.01 19.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 1.0 110.226 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.502 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -109.04 168.33 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.54 107.9 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 1.0 109.235 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' B' ' 117' ' ' GLY . 0.1 OUTLIER -124.05 -175.45 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 111.014 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' B' ' 116' ' ' PHE . . . -178.49 179.61 48.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.886 ' HA ' HD12 ' B' ' 121' ' ' ILE . 16.9 pt-20 -67.94 -42.98 80.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 1.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 1.4 mttp -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 1.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.484 ' OD1' ' CZ ' ' A' ' 72' ' ' ARG . 37.4 m-80 -73.23 -15.2 61.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' B' ' 118' ' ' GLU . 7.2 mt -95.69 134.72 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 1.0 109.249 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.0 OUTLIER -127.88 94.62 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 1.0 109.571 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.38 172.66 5.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 162.65 179.15 37.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.986 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.29 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.622 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -157.6 154.82 26.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 1.0 110.422 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.93 3.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.459 1.768 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.1 -43.09 96.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 1.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.622 ' HB2' HG23 ' A' ' 3' ' ' THR . 1.6 t60 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -59.32 -52.19 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 1.0 110.961 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 1.028 HG23 HG11 ' A' ' 71' ' ' VAL . 20.5 m -66.92 -50.43 62.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.32 -50.23 40.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' ARG . 7.9 t -56.67 -59.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.767 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.1 t -42.17 -38.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -45.5 77.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -61.33 -43.12 99.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 110.288 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' OH ' ' CZ ' ' A' ' 55' ' ' TYR . 17.7 t80 -59.64 -59.53 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 1.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.746 HG11 ' H ' ' A' ' 67' ' ' LEU . 8.7 t -48.46 -49.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.58 -51.12 58.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.391 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -37.11 76.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HA ' HD11 ' A' ' 26' ' ' ILE . 4.4 tp -60.73 -51.39 69.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.68 -31.14 70.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.49 -10.75 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.547 ' HA2' HD21 ' A' ' 59' ' ' LEU . . . 66.44 49.68 54.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.546 1.154 . . . . 1.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.573 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.2 m-20 -92.73 93.67 8.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.813 HD11 ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -69.14 -66.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.51 -34.76 76.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 1.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.51 3.6 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.467 1.104 . . . . 1.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.682 HG22 ' HE2' ' A' ' 30' ' ' PHE . 38.3 mt -52.33 -35.63 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 23' ' ' LEU . 69.2 t -70.73 -30.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.6 -17.68 47.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.78 -68.2 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.369 1.043 . . . . 1.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.682 ' HE2' HG22 ' A' ' 26' ' ' ILE . 40.5 p90 -85.01 -175.52 5.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -47.87 173.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 1.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 1.021 ' O ' HG23 ' A' ' 48' ' ' THR . 0.6 OUTLIER -104.63 -14.47 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -119.52 14.35 12.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 1.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -57.44 179.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 46' ' ' SER . 29.8 p -129.7 122.41 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 1.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.793 HG23 HG12 ' A' ' 51' ' ' ILE . 21.8 t -103.92 137.87 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -133.73 111.67 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.585 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.08 143.45 9.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 1.0 109.28 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.585 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.94 -70.62 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.036 -2.485 . . . . 1.0 111.012 -0.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -157.35 154.14 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.603 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 139.62 -50.41 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 3.2 p 149.69 -177.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 1.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.36 79.21 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.77 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -142.12 101.66 3.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 1.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' HG22 ' A' ' 35' ' ' THR . 7.3 p -97.69 140.98 31.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.991 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.95 148.59 23.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.021 HG23 ' O ' ' A' ' 32' ' ' ASP . 2.3 p -63.18 -17.4 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 1.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.88 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.31 97.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 36' ' ' VAL . 96.8 mt -58.45 -59.38 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 1.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.813 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -49.46 -47.16 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 1.2 tp10 -64.76 -27.45 68.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 1.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.78 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.948 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.469 ' CZ ' ' OH ' ' A' ' 14' ' ' TYR . 25.7 m-85 -60.3 -29.01 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.555 ' HA ' HD21 ' A' ' 23' ' ' LEU . . . -68.02 -70.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 1.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.501 ' ND2' ' N ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -46.45 -42.41 15.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.501 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 17.6 t -61.96 -49.73 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 1.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.591 HD12 ' CD2' ' A' ' 23' ' ' LEU . 1.3 mt -58.63 -23.77 59.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 10.8 ttmt -43.38 -26.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.393 1.058 . . . . 1.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' A' ' 62' ' ' PRO . 9.4 tp -92.86 140.46 23.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.96 54.32 3.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.611 1.848 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.955 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -98.22 131.99 44.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 1.0 109.376 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.734 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -107.21 103.43 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.688 HG23 HD21 ' A' ' 63' ' ' LEU . 2.1 t -95.1 144.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 3.4 tt0 -158.3 137.99 12.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 1.0 110.384 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 68' ' ' THR . 6.2 tt -61.14 157.99 14.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.899 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.2 p -136.98 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.566 ' N ' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -179.98 -160.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 1.0 110.337 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.84 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 20.8 mm-40 55.51 60.96 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 1.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.028 HG11 HG23 ' A' ' 8' ' ' THR . 53.8 t -111.9 84.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -87.27 104.37 16.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.675 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -102.18 128.79 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.773 HG13 ' N ' ' A' ' 75' ' ' ALA . 5.9 p -157.07 -139.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.773 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -31.48 95.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 1.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.625 ' C ' ' O ' ' A' ' 75' ' ' ALA . 8.8 m-80 20.93 58.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 27.3 tt0 -162.1 158.61 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.28 108.61 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -99.46 106.09 18.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.974 ' CB ' HG22 ' A' ' 71' ' ' VAL . 54.5 p90 -107.59 125.82 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.84 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . . . -86.66 106.81 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 1.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.0 p90 -107.97 -172.61 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -123.56 162.07 23.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 1.0 110.405 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.669 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -139.96 114.69 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 1.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -96.11 116.04 28.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 1.0 110.064 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -154.56 146.98 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 1.0 110.3 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.41 ' C ' ' OG1' ' A' ' 93' ' ' THR . 7.3 mttm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.66 HG22 HG23 ' A' ' 121' ' ' ILE . 4.9 m -155.83 146.18 21.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.407 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -129.78 118.83 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 1.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.859 HG22 HG12 ' A' ' 121' ' ' ILE . 47.5 t -100.39 166.23 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 1.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.506 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -136.41 69.81 61.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 1.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.02 162.56 36.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 1.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.736 HG12 ' HB2' ' A' ' 81' ' ' ALA . 10.3 mt -114.47 119.81 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.39 125.11 41.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.57 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -106.15 106.04 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.767 ' CD2' HG22 ' A' ' 11' ' ' VAL . 12.3 m-30 -94.62 136.63 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 1.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.92 ' O ' HG13 ' A' ' 109' ' ' VAL . 10.4 mtp180 -111.03 144.59 39.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -125.08 170.08 11.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.609 HD21 HG23 ' A' ' 110' ' ' VAL . 2.9 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.438 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 1.4 pttt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 102' ' ' ARG . 5.5 t -94.03 117.65 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.609 HG23 HD21 ' A' ' 104' ' ' ASN . 49.0 t -117.91 -5.71 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.438 ' HB3' ' CD ' ' A' ' 102' ' ' ARG . 2.2 m -141.41 141.61 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.492 ' SD ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -158.6 132.89 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 1.0 111.064 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HD3' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -136.02 160.04 39.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 1.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.484 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . . . -128.22 153.76 46.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.78 HD13 ' NH1' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -136.07 113.82 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 97' ' ' PRO . 6.8 m-85 -106.64 -175.67 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 1.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -176.08 176.24 47.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 1.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.94 -35.82 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 1.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -67.7 -10.01 48.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 1.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -107.58 29.97 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.859 HG12 HG22 ' A' ' 95' ' ' VAL . 3.3 mt -118.46 148.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -141.08 98.87 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.519 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -59.25 175.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.66 176.64 35.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 1.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 1.0 109.301 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.445 ' C ' ' ND2' ' B' ' 2' ' ' ASN . 49.8 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.49 0.186 . . . . 1.0 111.013 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' B' ' 1' ' ' MET . 5.1 p30 41.0 76.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 1.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -126.9 155.48 75.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -30.71 6.95 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 1.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -68.7 -46.49 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -68.05 -46.51 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.662 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.595 ' HE3' ' HB1' ' B' ' 73' ' ' ALA . 56.2 mtm -61.97 -61.84 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 1.007 HG23 HG11 ' B' ' 71' ' ' VAL . 27.1 m -52.49 -39.53 61.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 1.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -60.07 -44.37 94.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.52 -34.87 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' B' ' 80' ' ' PHE . 5.9 t -64.91 -44.99 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -67.05 -39.91 87.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 1.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.488 ' HB3' HD11 ' B' ' 29' ' ' LEU . 0.0 OUTLIER -68.2 -35.86 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 1.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -67.37 -44.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 1.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.691 HG11 ' N ' ' B' ' 67' ' ' LEU . 24.0 t -62.84 -54.49 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.49 84.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.405 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -62.59 -41.49 99.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 1.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.753 HD23 HG21 ' B' ' 65' ' ' VAL . 6.8 tp -60.84 -57.54 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.74 -22.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 1.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.05 -20.69 55.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.649 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 79.24 20.45 69.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.629 ' O ' HD12 ' B' ' 26' ' ' ILE . 4.8 m-20 -73.12 97.33 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.1 OUTLIER -70.94 -72.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.79 -34.38 75.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.47 -57.82 17.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.44 1.088 . . . . 1.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 22' ' ' ASP . 66.0 mt -56.41 -44.9 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 1.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.595 HG22 HG22 ' B' ' 51' ' ' ILE . 3.3 t -61.79 -27.21 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.77 -21.75 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' B' ' 13' ' ' ARG . 2.3 tt -55.54 -58.09 9.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 35.1 p90 -96.48 -177.81 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.1 167.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.961 ' O ' HG23 ' B' ' 48' ' ' THR . 0.5 OUTLIER -98.35 -13.97 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.86 11.31 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -58.93 179.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.654 HG22 ' CB ' ' B' ' 46' ' ' SER . 49.7 p -135.82 140.18 44.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 1.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.766 HG13 ' HG2' ' B' ' 112' ' ' MET . 11.5 t -114.77 138.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -140.62 94.98 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 110.318 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.787 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -148.15 143.52 17.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 1.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.664 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -74.92 -77.33 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.004 -2.498 . . . . 1.0 111.03 -0.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.59 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -157.29 154.33 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.581 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 136.09 -47.02 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 153.15 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 1.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 1.6 mt-10 67.15 63.77 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.0 Cg_endo -74.98 -169.23 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 1.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.956 ' HD3' ' HB1' ' B' ' 50' ' ' ALA . 6.3 mtt-85 -142.1 142.18 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.654 ' CB ' HG22 ' B' ' 35' ' ' THR . 53.0 p -138.89 140.33 38.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.45 150.01 23.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 1.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.961 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.7 p -63.15 -12.32 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.743 . . . . 1.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.32 -64.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.956 ' HB1' ' HD3' ' B' ' 45' ' ' ARG . . . -70.3 -37.19 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.595 HG22 HG22 ' B' ' 27' ' ' VAL . 4.9 mt -60.33 -62.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' B' ' 56' ' ' ALA . 1.3 ttp180 -56.34 -35.98 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 7.8 mm-40 -63.82 -43.02 97.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 1.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.2 OUTLIER -65.83 -58.19 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 1.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.809 ' O ' HD12 ' B' ' 59' ' ' LEU . 12.3 m-85 -60.65 -23.91 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.64 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -76.44 -71.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' B' ' 58' ' ' SER . 29.4 p30 -53.15 -21.03 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 58.4 m -83.79 -48.89 9.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 1.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.809 HD12 ' O ' ' B' ' 55' ' ' TYR . 3.2 mt -58.55 -24.16 60.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 1.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -43.13 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.6 HD23 ' HG ' ' B' ' 63' ' ' LEU . 10.1 tp -91.74 140.27 25.03 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.524 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.6 Cg_endo -74.89 55.52 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 1.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.6 ' HG ' HD23 ' B' ' 61' ' ' LEU . 15.7 mt -54.48 167.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' B' ' 85' ' ' SER . . . -135.51 61.95 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 1.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.808 HG22 ' HB ' ' B' ' 84' ' ' VAL . 86.0 t -77.47 137.77 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -156.79 137.73 13.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.691 ' N ' HG11 ' B' ' 15' ' ' VAL . 14.8 tp -67.22 143.42 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 11.0 p -125.89 -54.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 1.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.452 ' N ' ' NE2' ' B' ' 69' ' ' GLN . 0.0 OUTLIER -178.83 -163.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.697 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 10.1 mm-40 57.76 116.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 1.007 HG11 HG23 ' B' ' 8' ' ' THR . 42.2 t -157.1 68.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.78 ' NH1' HD13 ' A' ' 115' ' ' LEU . 4.8 ptt180 -72.35 102.19 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.595 ' HB1' ' HE3' ' B' ' 7' ' ' MET . . . -101.3 124.92 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 40' ' ' VAL . 1.6 p -175.77 159.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.37 49.49 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 109.347 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 49.49 38.6 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' B' ' 73' ' ' ALA . 17.8 mt-10 -141.48 169.76 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 1.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.03 110.74 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB3' ' CD ' ' B' ' 72' ' ' ARG . . . -109.27 103.92 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 34.0 p90 -109.65 157.14 19.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.697 ' HB3' ' HB2' ' B' ' 70' ' ' GLU . . . -111.53 115.74 29.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.602 ' CD2' HG13 ' B' ' 65' ' ' VAL . 32.1 p90 -124.54 171.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 1.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -103.86 158.96 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.415 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.808 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.3 OUTLIER -148.68 101.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.804 ' HB2' ' HB3' ' B' ' 64' ' ' ALA . 0.9 OUTLIER -86.04 151.21 23.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 1.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 4.5 p90 -164.11 142.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 1.0 110.997 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 1.9 tm-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.374 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 3.0 ttt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.52 114.52 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.582 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 97.1 m -126.98 154.03 45.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.418 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -128.27 121.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.776 HG13 HG13 ' B' ' 121' ' ' ILE . 4.2 t -100.32 164.38 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -142.79 63.5 13.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.6 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 167.23 27.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 1.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.775 HD11 ' OE1' ' A' ' 70' ' ' GLU . 27.6 mt -115.87 115.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.65 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -88.67 139.63 30.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.62 ' HD2' ' HB2' ' B' ' 79' ' ' ALA . 32.7 t-80 -130.21 125.29 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 1.0 109.635 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.439 ' CE1' ' SD ' ' B' ' 112' ' ' MET . 17.6 m-30 -118.96 148.0 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 1.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.404 ' CB ' ' HG2' ' B' ' 77' ' ' GLU . 2.6 ttp180 -130.1 123.06 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' B' ' 108' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.707 ' O ' HG23 ' B' ' 110' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.422 HG23 ' CE1' ' B' ' 103' ' ' PHE . 91.9 t -52.2 116.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 108' ' ' LYS . 72.4 t -113.74 -13.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.37 119.32 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.766 ' HG2' HG13 ' B' ' 36' ' ' VAL . 2.4 ttp -129.44 127.2 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 1.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -145.69 138.25 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 1.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.787 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . . . -105.35 160.51 15.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.72 97.81 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 6.1 m-85 -98.67 -173.15 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.906 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -167.01 -172.56 34.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 1.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -113.9 4.16 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 1.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 3.63 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.473 ' OD1' ' CA ' ' B' ' 117' ' ' GLY . 7.3 p-10 -110.6 27.96 9.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.906 HD11 ' O ' ' B' ' 117' ' ' GLY . 3.3 mp -126.48 140.66 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.425 ' C ' HG23 ' B' ' 93' ' ' THR . 10.9 m-70 -129.64 103.44 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.655 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.98 147.3 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.93 177.5 46.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 109.294 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.414 ' O ' ' SD ' ' A' ' 7' ' ' MET . 14.2 p -125.48 155.5 71.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.566 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 18.4 Cg_endo -75.06 -28.17 9.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 1.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.65 -48.4 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.287 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.98 -41.64 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.786 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -58.18 -55.39 35.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 110.963 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -58.81 -48.75 80.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 1.0 110.378 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.34 75.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 29' ' ' LEU . 2.4 t -62.04 -38.54 81.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.914 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.3 t -63.05 -42.79 97.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.75 -53.76 54.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -59.42 -47.75 84.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.745 ' HA ' HD13 ' A' ' 29' ' ' LEU . 3.1 t80 -55.03 -47.44 74.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 11' ' ' VAL . 60.9 t -62.95 -66.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 1.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' VAL . . . -39.87 -34.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -51.69 18.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.638 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.6 tp -51.18 -51.84 49.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -43.18 95.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 1.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -11.7 58.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.07 49.95 43.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.549 1.156 . . . . 1.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HD12 ' A' ' 26' ' ' ILE . 19.5 t0 -112.48 78.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 1.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 7.9 mt -55.57 -57.81 10.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.59 -39.01 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 1.0 109.356 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -67.79 -67.47 1.96 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 1.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 22' ' ' ASP . 3.6 mt -43.0 -34.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 38.2 t -72.04 -46.25 59.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 1.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -65.74 -13.14 58.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -70.43 -66.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 1.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 43.4 p90 -87.51 177.48 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 1.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -46.46 170.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.645 ' O ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -100.92 -14.72 17.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -119.22 17.47 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -61.62 174.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.239 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.82 HG22 ' CB ' ' A' ' 46' ' ' SER . 11.6 p -128.92 133.32 47.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.683 HG23 HG12 ' A' ' 51' ' ' ILE . 43.3 t -103.96 148.32 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 113' ' ' ARG . 1.8 tm-20 -153.49 90.02 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.599 ' HB2' ' HB3' ' A' ' 114' ' ' ALA . 2.7 p-10 -150.73 148.01 22.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.594 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.6 Cg_endo -74.97 -70.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.98 -2.508 . . . . 1.0 110.998 -0.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.584 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.38 160.26 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 124.02 -41.21 1.78 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.8 m 150.52 -175.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 1.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.89 66.86 0.31 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 1.0 110.339 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.02 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.429 1.752 . . . . 1.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 44' ' ' PRO . 4.5 mmp_? -152.44 148.51 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 1.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.82 ' CB ' HG22 ' A' ' 35' ' ' THR . 40.2 p -146.93 137.34 23.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 1.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 121.06 4.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.593 1.183 . . . . 1.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -46.98 -24.34 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 1.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.04 81.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.683 HG12 HG23 ' A' ' 36' ' ' VAL . 83.8 mt -52.73 -54.51 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 1.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -44.98 84.05 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 1.0 110.324 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.22 -47.4 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -63.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 1.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 51' ' ' ILE . 3.9 m-85 -43.88 -30.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.47 -53.44 10.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -54.83 -23.75 19.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -50.83 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -63.58 -15.77 59.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -57.56 -20.37 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' HD2' ' A' ' 62' ' ' PRO . 11.5 tp -94.51 137.18 22.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.615 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.02 62.62 5.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 1.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -109.14 166.09 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.49 116.31 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.94 137.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 1.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 83' ' ' THR . 19.8 tt0 -163.26 149.53 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.754 ' CD1' ' CZ ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -77.96 170.85 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 1.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.519 HG22 ' OG1' ' A' ' 83' ' ' THR . 0.2 OUTLIER -169.66 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.0 110.372 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.419 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 3.2 mp0 -77.81 -90.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -176.66 -178.38 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 1.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.731 HG13 ' CD1' ' A' ' 80' ' ' PHE . 21.7 t -129.92 125.98 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.535 HH21 ' HA3' ' B' ' 117' ' ' GLY . 4.7 mmp_? -107.52 94.6 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 1.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.899 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -89.64 118.5 29.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 73' ' ' ALA . 1.4 t -173.85 158.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.647 ' HB2' ' CG1' ' B' ' 40' ' ' VAL . . . 58.52 47.18 13.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 75' ' ' ALA . 10.2 p30 45.64 28.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.077 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.515 ' OE2' HD21 ' B' ' 115' ' ' LEU . 14.2 pt-20 -144.13 133.65 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 1.0 110.319 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -102.79 113.29 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.917 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -111.67 103.16 11.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.731 ' CD1' HG13 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -117.13 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . . . -121.35 109.96 15.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.84 ' CE2' HG21 ' A' ' 15' ' ' VAL . 15.1 m-85 -106.36 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.519 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -123.68 141.48 51.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 1.2 m -119.85 114.93 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.643 ' HA ' HG23 ' A' ' 94' ' ' VAL . 47.4 t -95.1 125.4 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 1.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.499 ' HE1' HG23 ' A' ' 95' ' ' VAL . 1.1 p90 -166.21 152.19 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 1.0 110.302 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 92' ' ' LYS . 1.7 mtpm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 92.6 m -157.67 153.25 26.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.643 HG23 ' HA ' ' A' ' 85' ' ' SER . 1.4 p -135.03 111.1 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.529 1.143 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 121' ' ' ILE . 21.9 t -84.31 167.6 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -143.24 70.06 18.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . 18.5 Cg_endo -74.98 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.766 . . . . 1.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.74 HD12 ' HE ' ' B' ' 72' ' ' ARG . 3.2 mt -115.34 122.15 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.635 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 1.0 OUTLIER -95.45 120.13 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.917 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 1.6 t-160 -113.88 99.64 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 1.0 109.534 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 10.6 m-30 -86.99 141.02 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -114.63 102.42 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 1.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 7' ' ' MET . 47.3 m-85 -79.86 117.81 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.326 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 109' ' ' VAL . 12.7 t -52.63 116.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.23 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 108' ' ' LYS . 54.5 t -113.33 0.69 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -160.99 108.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.3 ptp -118.97 129.78 55.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 1.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -128.22 171.82 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -134.8 158.74 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 1.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.549 HD23 HG12 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -138.52 112.87 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 39' ' ' PRO . 6.1 m-85 -105.53 -175.27 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 1.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.428 ' H ' ' ND2' ' A' ' 120' ' ' ASN . . . -157.46 -173.62 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 1.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -25.8 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 1.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.437 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 0.1 OUTLIER -100.9 7.41 43.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 29.6 p-10 -97.99 23.78 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 2.7 mt -129.76 137.11 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -124.49 103.13 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 1.0 109.684 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.51 ' HA ' ' HG1' ' A' ' 93' ' ' THR . . . -77.85 172.98 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 160.0 -177.59 36.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 1.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.74 . . . . 1.0 109.361 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.448 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.502 0.191 . . . . 1.0 110.978 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 1' ' ' MET . 0.5 OUTLIER 40.36 57.34 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.469 ' O ' ' SD ' ' B' ' 7' ' ' MET . 0.7 OUTLIER -46.15 155.14 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.0 110.44 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -41.3 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 1.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 2.4 mt-10 -63.64 -28.5 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -77.24 -66.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.793 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 1.2 ptt? -52.34 -40.08 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 1.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' B' ' 73' ' ' ALA . 90.2 m -70.1 -43.75 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 1.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -58.9 -35.16 72.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.04 -49.56 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' B' ' 80' ' ' PHE . 2.6 t -52.85 -38.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.45 -54.9 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -28.45 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.448 ' HD1' HG23 ' B' ' 15' ' ' VAL . 0.8 OUTLIER -69.86 -50.03 46.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 111.05 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.448 HG23 ' HD1' ' B' ' 14' ' ' TYR . 3.2 t -57.65 -46.74 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 1.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.41 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.83 59.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 1.0 109.27 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.493 ' HA ' HD11 ' B' ' 26' ' ' ILE . 13.5 tp -59.54 -52.81 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 65' ' ' VAL . 5.7 t-20 -59.58 -28.8 67.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.95 -26.68 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 1.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 87.73 20.22 51.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 1.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.534 ' O ' HD12 ' B' ' 26' ' ' ILE . 8.5 t0 -72.96 74.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 1.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.877 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -55.77 -35.39 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -72.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.88 -27.68 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 1.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.595 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 50.7 mt -77.13 -51.81 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 1.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.877 HG23 ' O ' ' B' ' 23' ' ' LEU . 88.8 t -62.82 -13.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 1.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.37 -28.57 12.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -49.69 -40.81 41.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' B' ' 51' ' ' ILE . 3.6 p90 -114.43 -178.85 3.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.76 169.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.677 ' O ' HG23 ' B' ' 48' ' ' THR . 0.2 OUTLIER -98.86 -15.84 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -117.87 12.74 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.711 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -52.11 152.52 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -108.71 109.66 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 1.0 110.453 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.583 HG11 ' CD2' ' B' ' 54' ' ' PHE . 92.3 t -90.07 149.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.9 OUTLIER -137.19 75.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.841 ' OD1' ' HB2' ' B' ' 114' ' ' ALA . 0.1 OUTLIER -147.32 128.64 7.23 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 1.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.437 ' HB2' ' H ' ' B' ' 40' ' ' VAL . 18.0 Cg_endo -75.1 -143.55 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.944 0.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.647 ' CG1' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -115.24 158.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 1.0 109.386 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 125.18 -38.74 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 1.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.73 171.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.436 0.727 . . . . 1.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.27 80.64 0.21 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.266 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -168.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.583 1.833 . . . . 1.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -153.08 85.41 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' B' ' 34' ' ' ALA . 84.7 p -105.45 145.3 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 94.04 131.32 6.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.576 1.172 . . . . 1.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.677 HG23 ' O ' ' B' ' 32' ' ' ASP . 12.1 p -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 1.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -65.2 -65.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.34 -55.07 35.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.711 HD11 ' O ' ' B' ' 34' ' ' ALA . 54.7 mt -44.72 -43.25 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -65.92 -45.89 80.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 1.0 110.212 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.31 -33.56 71.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.0 110.343 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.583 ' CD2' HG11 ' B' ' 36' ' ' VAL . 1.6 t80 -72.76 -71.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 1.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' B' ' 51' ' ' ILE . 18.5 m-85 -48.9 -43.43 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.512 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -62.28 -63.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 22.5 t-20 -49.48 -24.39 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -75.23 -58.14 3.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.105 . . . . 1.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.2 OUTLIER -57.04 -19.64 19.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 1.0 109.362 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -47.0 -25.3 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 1.0 109.302 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.527 HD12 ' HD2' ' B' ' 62' ' ' PRO . 11.1 tp -88.22 139.56 30.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 65.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 1.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -117.4 -177.25 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 1.0 109.251 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' B' ' 19' ' ' ASN . . . -147.96 100.86 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.655 HG13 ' CD2' ' B' ' 82' ' ' PHE . 24.2 t -84.27 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 1.0 109.369 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -166.35 146.23 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.467 ' C ' HG22 ' B' ' 68' ' ' THR . 3.1 mt -76.3 176.27 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.49 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.0 OUTLIER 170.65 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 1.0 110.431 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.805 ' NE2' ' HB3' ' B' ' 81' ' ' ALA . 1.2 tm0? -74.58 -78.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' B' ' 69' ' ' GLN . 0.0 OUTLIER 171.05 177.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.239 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.903 HG22 ' CB ' ' B' ' 80' ' ' PHE . 61.4 t -126.81 146.51 32.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.74 ' HE ' HD12 ' A' ' 98' ' ' ILE . 6.3 tpp180 -116.22 72.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.793 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -78.56 120.5 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -177.76 156.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.434 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 57.1 52.63 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.403 ' HA ' ' ND2' ' B' ' 2' ' ' ASN . 0.2 OUTLIER 45.17 26.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.312 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' B' ' 7' ' ' MET . 11.3 mt-10 -131.98 166.99 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -137.16 97.5 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.54 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -105.57 94.94 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.903 ' CB ' HG22 ' B' ' 71' ' ' VAL . 36.4 p90 -114.46 170.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.805 ' HB3' ' NE2' ' B' ' 69' ' ' GLN . . . -134.9 132.8 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.655 ' CD2' HG13 ' B' ' 65' ' ' VAL . 42.8 p90 -133.26 174.71 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.49 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.6 OUTLIER -106.2 163.85 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 1.0 110.427 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.6 OUTLIER -142.13 125.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.342 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -96.82 116.35 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 1.0 110.047 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.606 ' CE1' HG23 ' B' ' 95' ' ' VAL . 1.2 p90 -154.27 143.34 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.778 ' HD2' ' HB1' ' B' ' 123' ' ' ALA . 1.2 ptt180 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.324 -0.25 . . . . 1.0 110.324 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.403 ' C ' ' OG1' ' B' ' 93' ' ' THR . 4.7 mttt -80.06 153.36 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.57 HG22 ' CG2' ' B' ' 121' ' ' ILE . 4.0 m -155.28 146.72 22.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.456 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.4 OUTLIER -124.4 120.62 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.885 HG22 HG12 ' B' ' 121' ' ' ILE . 61.3 t -99.67 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -137.65 72.65 49.31 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.487 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.5 Cg_endo -74.99 159.53 41.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 1.2 mt -115.33 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.606 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 2.1 m-20 -101.9 124.28 47.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 21.4 t-160 -117.07 103.46 10.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.627 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.474 ' CD2' HG22 ' B' ' 11' ' ' VAL . 11.5 m-30 -102.09 160.22 14.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -137.19 130.11 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.695 ' CD2' HG22 ' B' ' 109' ' ' VAL . 10.0 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.695 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.4 t -91.0 118.35 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.562 ' O ' HG12 ' B' ' 110' ' ' VAL . 73.0 t -134.54 10.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -146.8 131.54 17.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.531 ' CE ' HG22 ' B' ' 36' ' ' VAL . 3.3 mtm -150.26 142.93 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 1.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -148.76 165.95 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 110.355 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.841 ' HB2' ' OD1' ' B' ' 38' ' ' ASP . . . -135.53 168.19 19.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 1.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.515 HD21 ' OE2' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -152.39 105.11 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.724 ' O ' HG21 ' A' ' 74' ' ' VAL . 7.3 p90 -115.39 127.58 55.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.535 ' HA3' HH21 ' A' ' 72' ' ' ARG . . . -109.08 -172.32 20.97 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.437 1.085 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 1.4 mp0 -110.65 2.69 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 1.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . 0.466 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -108.98 18.21 20.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.504 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 2.8 p30 -131.59 43.84 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.885 HG12 HG22 ' B' ' 95' ' ' VAL . 3.2 mt -133.29 147.24 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.456 ' HB2' HG12 ' B' ' 94' ' ' VAL . 4.4 m-70 -137.7 115.22 11.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 1.0 109.602 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.778 ' HB1' ' HD2' ' B' ' 91' ' ' ARG . . . -79.6 167.59 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.91 173.29 38.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 1.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 1.0 109.248 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.482 ' O ' ' SD ' ' A' ' 7' ' ' MET . 47.9 p -113.28 155.38 44.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.49 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.1 Cg_endo -75.09 -37.45 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 1.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.9 tm-20 -67.3 -28.49 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.445 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 2.5 t-160 -77.0 -65.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.807 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -51.59 -43.84 62.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.643 HG23 HG11 ' A' ' 71' ' ' VAL . 91.2 m -66.55 -45.86 78.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.47 -33.81 68.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 1.0 109.313 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG13 HD22 ' A' ' 29' ' ' LEU . 24.8 t -68.43 -49.11 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.71 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.4 t -51.52 -42.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -63.94 -49.06 74.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.23 -35.39 73.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.9 t80 -65.31 -49.43 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 1.0 110.992 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.85 -47.3 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.39 46.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 22' ' ' ASP . . . -50.17 -42.49 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.567 HD23 ' HB ' ' A' ' 65' ' ' VAL . 9.7 tp -56.83 -53.71 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 9.1 t-20 -61.04 -22.51 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.21 31.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 1.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.04 9.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 1.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.7 ' O ' HD12 ' A' ' 26' ' ' ILE . 14.7 t0 -96.44 71.14 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 1.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.924 HD11 ' HA ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -55.45 -40.02 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 1.0 109.322 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -72.47 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.88 -27.83 0.4 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 22' ' ' ASP . 32.0 mt -78.36 -48.25 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.893 HG21 ' HG3' ' A' ' 52' ' ' ARG . 68.7 t -68.07 -10.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.2 -26.46 12.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.556 HD22 HG13 ' A' ' 10' ' ' VAL . 1.9 mt -48.82 -37.85 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 1.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.4 p90 -115.81 -175.88 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.721 ' CB ' HG22 ' A' ' 110' ' ' VAL . . . -44.88 168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 1.004 ' O ' HG23 ' A' ' 48' ' ' THR . 0.2 OUTLIER -91.19 -17.69 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 1.0 109.398 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -125.51 26.85 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 1.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.91 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -60.01 166.42 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 45' ' ' ARG . 29.9 p -119.64 125.88 49.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.828 HG13 ' HE2' ' A' ' 112' ' ' MET . 3.5 t -104.4 139.53 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.489 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -133.02 55.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 1.9 p-10 -125.11 144.03 46.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.0 Cg_endo -75.02 -67.37 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.847 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -156.94 178.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.45 16.35 9.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 p 62.84 -177.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 1.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 68.12 62.81 0.68 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.02 152.68 40.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 1.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 35' ' ' THR . 6.6 mtt180 -101.32 166.61 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 110.239 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.424 ' CB ' HG22 ' A' ' 35' ' ' THR . 74.0 p -151.7 142.94 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 1.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.27 127.83 5.68 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.516 1.135 . . . . 1.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.004 HG23 ' O ' ' A' ' 32' ' ' ASP . 3.3 p -46.53 -25.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . . . -63.04 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.46 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.545 HG21 ' CE1' ' A' ' 30' ' ' PHE . 14.4 mt -54.8 -38.31 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.893 ' HG3' HG21 ' A' ' 27' ' ' VAL . 10.9 mtm105 -71.21 -66.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.2 -39.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 1.0 110.253 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE2' ' OD1' ' A' ' 38' ' ' ASP . 1.1 t80 -65.86 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 1.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.5 ' CB ' HD21 ' A' ' 23' ' ' LEU . 7.6 m-85 -56.04 -16.95 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.924 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -77.39 -66.43 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 1.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -60.18 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -75.46 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -57.46 -20.06 28.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 1.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -27.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 1.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.56 HD12 ' HD2' ' A' ' 62' ' ' PRO . 11.1 tp -76.78 139.27 66.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.56 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 64.39 6.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 1.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.13 -177.25 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.82 104.03 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.567 ' HB ' HD23 ' A' ' 18' ' ' LEU . 89.2 t -84.13 137.64 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 1.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -155.95 149.63 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' ' 68' ' ' THR . 2.6 mt -83.63 170.62 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER 177.8 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 1.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.675 ' NE2' ' HB3' ' A' ' 81' ' ' ALA . 1.3 tm0? -69.46 -76.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.5 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER 163.42 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.922 HG22 ' CB ' ' A' ' 80' ' ' PHE . 71.7 t -133.85 146.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.842 HH21 ' HB3' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -121.14 87.88 2.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.807 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -86.54 129.47 34.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 HG21 ' B' ' 40' ' ' VAL . 1.6 p -141.4 -150.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.795 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -40.68 94.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 1.0 109.233 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' VAL . 1.0 OUTLIER 37.22 31.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.539 ' OE1' HD21 ' B' ' 115' ' ' LEU . 1.9 tt0 -123.8 160.13 28.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -148.08 87.43 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.46 101.4 12.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.922 ' CB ' HG22 ' A' ' 71' ' ' VAL . 49.8 p90 -119.98 179.87 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.771 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -142.9 137.84 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 11.5 p90 -137.03 -179.86 5.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 1.0 111.055 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -115.52 160.24 20.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 1.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -134.71 120.95 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 48.2 m -95.84 117.25 30.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 1.4 p90 -154.82 151.21 28.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.31 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.552 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 4.4 m -154.24 146.07 23.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 1.0 110.376 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -132.71 119.85 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.764 HG22 HG12 ' A' ' 121' ' ' ILE . 48.5 t -102.03 166.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 1.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 120' ' ' ASN . . . -138.07 71.65 47.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.472 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.429 1.752 . . . . 1.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.771 HG12 ' HB2' ' A' ' 81' ' ' ALA . 10.9 mt -111.49 157.82 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.618 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.7 m-20 -136.07 144.93 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.559 ' NE2' ' CG2' ' A' ' 98' ' ' ILE . 15.8 m170 -132.02 91.61 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 1.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.71 ' CD2' HG22 ' A' ' 11' ' ' VAL . 4.6 m-30 -83.94 133.66 34.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 111' ' ' SER . 4.4 ttp180 -116.7 112.93 21.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 1.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.823 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -84.13 114.43 21.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 1.0 111.043 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.823 HG22 ' CD2' ' A' ' 103' ' ' PHE . 4.6 t -64.42 121.37 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 109.355 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.91 HG13 ' HA ' ' A' ' 34' ' ' ALA . 84.1 t -132.2 -62.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -80.14 114.8 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.965 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.828 ' HE2' HG13 ' A' ' 36' ' ' VAL . 1.7 ptm -139.99 133.53 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.791 ' HD3' HD12 ' A' ' 115' ' ' LEU . 4.4 tmm_? -136.12 146.84 47.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 110.236 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.529 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -110.68 172.65 6.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 1.0 109.38 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.915 HD23 ' CG2' ' B' ' 74' ' ' VAL . 0.1 OUTLIER -157.16 102.53 1.96 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 1.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -116.37 129.08 56.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -111.57 -173.83 19.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 1.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.641 ' HA ' HD12 ' A' ' 121' ' ' ILE . 1.2 mm-40 -110.5 23.56 14.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 1.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' B' ' 71' ' ' VAL . 0.0 OUTLIER -116.78 16.62 15.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.687 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -142.65 49.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.764 HG12 HG22 ' A' ' 95' ' ' VAL . 7.0 mt -135.18 136.57 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.357 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.503 ' N ' ' CD2' ' A' ' 122' ' ' HIS . 0.5 OUTLIER -129.1 138.66 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.541 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.82 161.58 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 161.61 176.17 33.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 1.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 1.0 109.314 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.427 0.156 . . . . 1.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.745 ' N ' HD22 ' B' ' 2' ' ' ASN . 0.8 OUTLIER -89.24 62.25 6.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.162 . . . . 1.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.2 p -112.04 161.56 25.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 1.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -29.37 8.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 1.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.42 -43.99 84.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.85 -46.19 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.534 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -54.17 -52.37 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.0 111.04 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.04 -46.42 90.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 110.444 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.75 69.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.246 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.34 -45.47 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.668 HG22 ' CE1' ' B' ' 80' ' ' PHE . 6.6 t -61.24 -41.29 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -59.57 -51.26 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -59.98 -34.55 73.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -69.25 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 1.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 11' ' ' VAL . 48.9 t -63.63 -56.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -53.51 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 1.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.634 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -52.55 -48.04 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.232 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.756 HD23 HG11 ' B' ' 65' ' ' VAL . 15.4 tp -53.01 -53.95 42.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -21.6 65.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.05 -12.57 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 1.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.449 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . 65.88 27.64 72.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.765 ' O ' HD12 ' B' ' 26' ' ' ILE . 33.5 m-20 -76.07 97.62 4.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 1.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 1.8 mt -70.2 -59.04 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 1.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.74 -34.33 72.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 1.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.48 -66.84 2.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.765 HD12 ' O ' ' B' ' 22' ' ' ASP . 12.9 mt -46.34 -37.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.551 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.4 t -68.22 -39.77 81.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -71.32 -17.0 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -64.29 -59.04 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.64 ' HE2' HG22 ' B' ' 26' ' ' ILE . 25.5 p90 -98.86 -177.76 3.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -48.02 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 1.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 1.01 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -104.03 -14.86 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -115.96 16.2 16.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -66.94 165.18 16.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.685 HG22 ' CB ' ' B' ' 46' ' ' SER . 2.0 p -118.56 133.7 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 1.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.682 HG23 HG12 ' B' ' 51' ' ' ILE . 25.1 t -107.22 138.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 1.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 2.8 mt-10 -137.78 97.79 3.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.258 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.552 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 2.9 t0 -143.55 122.65 7.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.552 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.0 -87.03 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.992 -2.503 . . . . 1.0 111.006 -0.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.817 HG21 HG11 ' A' ' 74' ' ' VAL . 2.0 t -136.38 141.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.383 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.2 27.42 39.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 1.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 16.1 m -111.57 62.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 1.0 109.938 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 41.11 86.67 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.346 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.03 144.73 30.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 1.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.469 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 10.2 mpt_? -87.81 150.16 23.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.685 ' CB ' HG22 ' B' ' 35' ' ' THR . 19.4 p -136.05 104.45 5.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.028 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.67 157.9 10.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 1.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 1.01 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.5 p -60.34 -26.75 66.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 1.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.44 -68.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -56.16 -52.01 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 1.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.682 HG12 HG23 ' B' ' 36' ' ' VAL . 5.2 mt -46.36 -46.07 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' B' ' 53' ' ' GLU . 55.0 ttp85 -61.76 -62.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 52' ' ' ARG . 0.0 OUTLIER -45.15 -36.06 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.487 ' CD2' ' N ' ' B' ' 55' ' ' TYR . 9.8 t80 -69.5 -68.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 1.0 110.952 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.564 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.4 m-85 -43.98 -27.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.24 -51.33 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.37 -36.13 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -69.93 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.564 HD12 ' O ' ' B' ' 55' ' ' TYR . 1.0 OUTLIER -54.45 -19.78 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -40.96 -29.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 1.0 109.242 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.881 HD11 ' O ' ' B' ' 87' ' ' GLU . 13.9 tp -99.7 137.49 20.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 1.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 54.65 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.516 1.798 . . . . 1.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' B' ' 85' ' ' SER . 0.2 OUTLIER -78.97 -177.66 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 106.45 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.756 HG11 HD23 ' B' ' 18' ' ' LEU . 37.3 t -87.03 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -162.85 129.13 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 1.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' B' ' 81' ' ' ALA . 5.5 mt -59.89 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.423 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.35 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.551 ' NE2' ' CB ' ' B' ' 81' ' ' ALA . 1.5 mt-30 -85.18 -98.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -174.57 -179.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.903 HG22 ' CB ' ' B' ' 80' ' ' PHE . 84.3 t -119.6 139.29 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 1.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.422 ' HG2' HD12 ' A' ' 98' ' ' ILE . 6.6 mpt_? -117.53 86.49 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 1.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -84.13 128.36 34.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.915 ' CG2' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -141.93 -150.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.481 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -45.42 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.2 OUTLIER 35.1 36.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.563 ' OE2' ' CE1' ' B' ' 100' ' ' HIS . 2.7 mt-10 -136.76 106.24 6.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -101.66 97.02 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.693 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -107.21 108.31 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.903 ' CB ' HG22 ' B' ' 71' ' ' VAL . 8.9 p90 -123.45 153.23 40.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 1.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.551 ' CB ' ' NE2' ' B' ' 69' ' ' GLN . . . -107.91 130.68 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 109.282 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.629 ' CE2' ' CG1' ' B' ' 84' ' ' VAL . 6.7 p90 -135.96 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 1.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.423 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.51 161.24 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 110.412 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.629 ' CG1' ' CE2' ' B' ' 82' ' ' PHE . 4.2 m -149.18 124.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' B' ' 93' ' ' THR . 73.5 m -104.04 116.55 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 1.0 110.036 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.586 ' CZ ' ' CG2' ' B' ' 84' ' ' VAL . 13.4 m-30 -104.48 172.9 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 1.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.881 ' O ' HD11 ' B' ' 61' ' ' LEU . 28.6 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 110.233 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 1.2 mtp180 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.426 ' HG3' ' HB3' ' B' ' 125' ' ' ALA . 0.1 OUTLIER -156.15 141.73 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' B' ' 85' ' ' SER . 2.6 m -136.01 166.64 22.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 1.0 110.448 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.745 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.8 t -142.9 86.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.906 HG22 ' CG1' ' B' ' 121' ' ' ILE . 54.6 t -87.99 147.24 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.538 ' O ' ' CZ ' ' A' ' 72' ' ' ARG . . . -122.76 72.17 41.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.741 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.2 Cg_endo -74.95 168.46 24.78 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 1.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.498 HG12 ' CB ' ' B' ' 81' ' ' ALA . 71.6 mt -123.16 115.61 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -86.26 142.0 28.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.693 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 16.5 t-160 -136.16 101.72 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.639 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' B' ' 101' ' ' PHE . 9.2 m-30 -101.32 129.82 47.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -116.57 123.55 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 1.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' B' ' 108' ' ' LYS . 1.2 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.777 ' O ' HG23 ' B' ' 110' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.279 -0.638 . . . . 1.0 109.279 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 15.8 t -44.76 119.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 1.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 108' ' ' LYS . 48.9 t -123.5 0.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 27.6 m -159.51 124.16 3.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 1.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.434 ' HE3' ' CE1' ' B' ' 30' ' ' PHE . 2.3 ptp -129.81 121.73 27.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.45 121.92 46.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.537 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -98.76 94.16 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.539 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -71.77 116.36 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.493 ' CG ' ' HB3' ' B' ' 39' ' ' PRO . 2.5 m-85 -101.29 -168.73 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.445 ' N ' ' NH1' ' A' ' 72' ' ' ARG . . . -168.29 -173.85 36.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.462 1.101 . . . . 1.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -135.79 9.69 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 0.814 . . . . 1.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -116.89 -7.66 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.842 ' HB3' HH21 ' A' ' 72' ' ' ARG . 1.2 m-80 -118.45 36.65 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.906 ' CG1' HG22 ' B' ' 95' ' ' VAL . 2.3 mp -122.61 140.3 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -123.49 82.99 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0 109.648 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.8 145.24 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.09 42.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 1.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.426 ' HB3' ' HG3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 1.0 109.379 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.555 ' OG1' ' CG ' ' A' ' 6' ' ' HIS . 1.4 p -111.17 157.43 38.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.471 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.3 Cg_endo -75.02 -37.28 2.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 1.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.1 mt-10 -69.14 -27.3 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.555 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 21.7 m170 -77.77 -64.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.768 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 1.6 ptt? -53.08 -39.15 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.785 HG23 HG11 ' A' ' 71' ' ' VAL . 91.5 m -71.17 -45.1 64.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 1.0 110.345 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -56.57 -42.68 79.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.646 HG13 HD22 ' A' ' 29' ' ' LEU . 2.7 t -66.22 -43.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.773 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.7 t -54.44 -39.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -58.27 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.66 -28.19 45.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.587 ' HB2' HD13 ' A' ' 29' ' ' LEU . 3.2 t80 -72.15 -48.71 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.29 -46.17 81.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.35 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.94 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.646 ' HA ' HD11 ' A' ' 26' ' ' ILE . 13.5 tp -63.44 -58.64 6.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -58.54 -19.94 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.94 -32.81 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 97.07 47.64 2.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.152 . . . . 1.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.692 ' O ' HD12 ' A' ' 26' ' ' ILE . 8.7 m-20 -103.84 88.74 3.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 0.779 . . . . 1.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -70.91 -61.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -43.12 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.27 -55.91 27.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 1.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 22' ' ' ASP . 60.1 mt -57.18 -42.93 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 0.802 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 23' ' ' LEU . 99.2 t -63.3 -26.35 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.76 -22.3 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.227 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.646 HD22 HG13 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -53.03 -45.47 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 5.8 p90 -111.91 -177.94 3.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 1.0 111.0 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.669 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -45.25 168.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 48' ' ' THR . 20.5 m-20 -98.22 -13.82 20.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.65 22.48 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -68.43 160.64 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' CB ' ' A' ' 46' ' ' SER . 35.3 p -110.01 139.0 45.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.428 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.669 HG11 ' CE2' ' A' ' 54' ' ' PHE . 2.1 t -122.59 142.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HG2' ' NH1' ' A' ' 113' ' ' ARG . 10.0 tp10 -131.57 80.7 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 1.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.626 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -131.92 135.99 27.57 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 1.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.626 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.95 -77.83 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.048 -2.48 . . . . 1.0 110.972 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG12 HH21 ' A' ' 113' ' ' ARG . 0.0 OUTLIER -159.42 159.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 136.28 -47.45 0.97 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.3 t 151.69 177.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 1.0 109.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' N ' ' OG ' ' A' ' 42' ' ' SER . 1.2 mt-10 68.49 63.4 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.05 143.55 29.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 1.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.508 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -99.16 178.57 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 1.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.488 ' CB ' HG22 ' A' ' 35' ' ' THR . 82.3 p -173.16 155.44 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 89.77 131.37 4.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 1.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 32' ' ' ASP . 69.4 p -41.25 -28.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 1.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.27 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 1.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -61.3 -51.44 68.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.526 HG23 ' CE1' ' A' ' 55' ' ' TYR . 8.6 mt -48.15 -48.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG2' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -58.16 -48.45 80.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 1.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -36.14 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 1.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.669 ' CE2' HG11 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -72.89 -69.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.0 110.964 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.597 ' CE2' HG21 ' A' ' 26' ' ' ILE . 21.2 m-85 -47.85 -44.04 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.715 ' HA ' HD21 ' A' ' 23' ' ' LEU . . . -62.48 -63.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 109.371 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -46.75 -30.02 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 1.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.709 HD13 ' CD2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -20.06 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 -29.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 59' ' ' LEU . 12.4 tp -104.25 122.2 44.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 1.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.27 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.393 1.733 . . . . 1.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.835 HD12 ' H ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -139.79 -176.11 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.6 88.52 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.385 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.944 HG22 ' HB ' ' A' ' 84' ' ' VAL . 46.7 t -91.43 137.83 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -165.09 150.03 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.426 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.1 mt -75.69 142.08 42.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 1.0 109.216 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.529 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.6 t -179.96 68.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 110.412 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.1 tt0 -171.43 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 8.9 tp10 174.24 153.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.896 HG22 ' CB ' ' A' ' 80' ' ' PHE . 83.9 t -124.57 104.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.679 HH21 ' C ' ' B' ' 96' ' ' ALA . 0.4 OUTLIER -80.23 85.16 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.768 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -92.37 100.36 12.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.944 ' CG1' HG21 ' B' ' 40' ' ' VAL . 2.5 t -158.31 148.44 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB3' HG11 ' B' ' 40' ' ' VAL . . . 56.07 48.58 17.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 1.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 48.57 30.48 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.268 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 1.4 mm-40 -132.94 117.66 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.597 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -102.91 96.57 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 1.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.99 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -101.22 91.99 4.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.896 ' CB ' HG22 ' A' ' 71' ' ' VAL . 35.4 p90 -110.76 148.59 32.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -114.02 119.93 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 12.1 p90 -120.89 -175.25 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.529 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -122.15 164.65 17.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 110.415 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.944 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -152.76 123.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -93.96 125.4 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.993 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.908 ' CE1' HG23 ' A' ' 95' ' ' VAL . 4.5 p90 -146.35 132.11 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.255 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.325 -0.621 . . . . 1.0 109.325 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.589 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 74.7 m -126.0 147.45 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.431 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 94' ' ' VAL . 2.7 p -126.45 111.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.908 HG23 ' CE1' ' A' ' 86' ' ' PHE . 77.4 t -89.43 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -123.84 71.9 51.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.066 . . . . 1.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.785 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.4 Cg_endo -74.99 160.89 39.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.582 1.833 . . . . 1.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.93 HD12 ' HD2' ' B' ' 72' ' ' ARG . 8.5 mt -120.86 114.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -90.66 135.73 33.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 1.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.99 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 4.3 t-160 -120.93 86.27 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.773 ' CD2' HG22 ' A' ' 11' ' ' VAL . 4.1 m-30 -69.54 150.34 47.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -128.14 106.85 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 25.0 m-85 -95.12 122.97 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.687 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 43.7 t -61.99 116.11 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 31' ' ' ALA . 46.5 t -134.28 9.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 1.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 1.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.499 ' HG3' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -162.09 141.3 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.751 HH21 HG12 ' A' ' 40' ' ' VAL . 40.3 ttt85 -137.16 129.19 29.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.53 163.02 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.586 HD22 ' HG3' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -144.61 105.1 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.346 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -121.66 126.18 48.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.386 1.054 . . . . 1.0 111.036 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.609 ' O ' HD12 ' A' ' 121' ' ' ILE . . . -114.62 172.78 14.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 1.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.69 -20.23 47.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 1.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 15.06 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.451 ' ND2' ' OE2' ' B' ' 70' ' ' GLU . 4.2 m-20 -114.13 -11.01 12.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.753 ' CG1' HG22 ' A' ' 95' ' ' VAL . 3.8 mp -93.22 135.74 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -127.34 91.87 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.636 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.38 154.87 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.17 177.37 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 1.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.461 0.742 . . . . 1.0 109.303 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.503 0.192 . . . . 1.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -178.58 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.622 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -152.98 154.79 31.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 110.456 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.37 4.67 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 1.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 46.8 tt0 -65.52 -44.45 86.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.622 ' HB2' HG23 ' B' ' 3' ' ' THR . 4.1 t60 -70.17 -43.61 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.549 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.427 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -59.23 -59.15 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 111.008 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -58.44 -38.59 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -55.47 -50.73 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' B' ' 103' ' ' PHE . 54.9 t -58.43 -46.98 89.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.616 ' CG1' ' CD1' ' B' ' 80' ' ' PHE . 2.9 t -56.38 -40.2 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.78 -46.83 83.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -59.71 -38.38 81.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.468 ' CD2' ' CZ ' ' B' ' 101' ' ' PHE . 17.2 t80 -63.51 -52.91 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 t -53.48 -54.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.18 . . . . 1.0 109.309 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -55.44 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.487 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -51.29 -35.61 38.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.587 ' HA ' HD11 ' B' ' 26' ' ' ILE . 9.7 tp -63.79 -53.8 45.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.72 -18.09 63.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 1.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.78 -15.74 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.495 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 78.65 12.68 83.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 1.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.639 ' O ' HD12 ' B' ' 26' ' ' ILE . 0.7 OUTLIER -65.32 90.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 0.804 . . . . 1.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -72.12 -73.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.74 -39.91 78.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -56.71 23.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.639 HD12 ' O ' ' B' ' 22' ' ' ASP . 57.7 mt -53.28 -42.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.748 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.914 HG21 ' CB ' ' B' ' 52' ' ' ARG . 87.3 t -62.73 -32.01 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.63 -19.87 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.492 ' O ' HD23 ' B' ' 29' ' ' LEU . 6.4 tt -50.62 -39.01 49.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 1.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.987 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.1 p90 -117.39 -175.15 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.38 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.711 ' O ' HG22 ' B' ' 48' ' ' THR . 0.3 OUTLIER -94.85 -11.02 29.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.361 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.47 15.81 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.612 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -55.05 159.09 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.56 HG22 ' CB ' ' B' ' 46' ' ' SER . 45.8 p -109.6 122.44 47.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.699 HG21 HG23 ' B' ' 51' ' ' ILE . 14.3 t -112.64 138.14 42.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 1.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -116.98 73.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 110.245 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.591 ' OD1' ' CD2' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -105.69 134.45 19.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 1.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.741 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.7 Cg_endo -74.96 -44.65 0.54 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.084 -2.465 . . . . 1.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.944 HG21 ' CG1' ' A' ' 74' ' ' VAL . 2.0 t -124.21 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.771 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -52.07 -19.36 5.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 5.6 t -60.14 82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 0.782 . . . . 1.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER 86.17 86.59 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 110.264 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.7 14.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 1.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.61 ' HG2' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -147.14 154.58 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.329 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.56 ' CB ' HG22 ' B' ' 35' ' ' THR . 82.5 p -150.44 133.05 15.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 1.0 110.067 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 115.79 123.36 3.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.162 . . . . 1.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.711 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -43.59 -25.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 110.385 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -67.62 -50.85 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.61 ' HB1' ' HG2' ' B' ' 45' ' ' ARG . . . -68.62 -38.29 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.987 HG21 ' CE1' ' B' ' 30' ' ' PHE . 30.7 mt -59.65 -59.41 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.914 ' CB ' HG21 ' B' ' 27' ' ' VAL . 22.6 ptt180 -62.85 -27.16 69.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' B' ' 57' ' ' ASN . 14.3 tp10 -61.03 -62.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 1.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.591 ' CD2' ' OD1' ' B' ' 38' ' ' ASP . 3.6 t80 -58.28 -49.72 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.193 . . . . 1.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.918 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.8 m-85 -60.75 -25.18 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 1.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.716 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -75.28 -72.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 1.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 53' ' ' GLU . 0.9 OUTLIER -52.23 -26.25 11.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 25.6 t -73.62 -53.57 10.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.062 . . . . 1.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.918 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.3 OUTLIER -58.74 -23.08 59.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -43.78 -26.73 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' B' ' 86' ' ' PHE . 12.0 tp -91.44 116.28 66.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 1.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.599 HD12 ' H ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -148.28 -176.17 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.41 102.44 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.691 HG13 ' CD2' ' B' ' 82' ' ' PHE . 6.4 t -92.99 142.07 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -155.7 141.99 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' B' ' 80' ' ' PHE . 0.7 OUTLIER -78.2 118.32 20.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -117.69 -25.29 6.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.639 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 0.4 OUTLIER -93.13 -171.15 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' ND2' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -87.89 -175.53 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.878 HG22 ' CB ' ' B' ' 80' ' ' PHE . 99.1 t -141.62 119.65 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.93 ' HD2' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -90.22 91.39 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.11 119.1 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 177.35 162.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 1.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 41' ' ' GLY . . . 53.03 54.91 9.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 44.07 32.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 1.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.418 ' HB3' ' NE2' ' B' ' 100' ' ' HIS . 2.9 mt-10 -135.18 162.76 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -153.52 103.68 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.855 ' HB3' ' CG ' ' B' ' 72' ' ' ARG . . . -107.81 106.3 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.878 ' CB ' HG22 ' B' ' 71' ' ' VAL . 29.0 p90 -111.59 142.55 43.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -108.25 132.23 53.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.691 ' CD2' HG13 ' B' ' 65' ' ' VAL . 40.4 p90 -140.97 172.54 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.1 OUTLIER -107.56 160.88 15.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 1.0 110.419 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.506 HG13 ' CD ' ' B' ' 97' ' ' PRO . 0.6 OUTLIER -137.27 116.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.0 109.269 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -96.83 110.54 23.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.477 1.111 . . . . 1.0 109.967 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' B' ' 93' ' ' THR . 5.8 p90 -139.78 137.14 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.481 ' HB2' ' CB ' ' B' ' 92' ' ' LYS . 56.2 tt0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 1.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.305 -0.257 . . . . 1.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.481 ' CB ' ' HB2' ' B' ' 87' ' ' GLU . 9.4 tttm -104.19 157.47 17.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.715 HG22 HG23 ' B' ' 121' ' ' ILE . 5.0 m -155.73 146.1 21.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.471 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -125.87 117.96 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 1.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.876 HG22 HG12 ' B' ' 121' ' ' ILE . 57.9 t -100.86 166.59 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.692 ' HB3' ' ND2' ' B' ' 120' ' ' ASN . . . -137.35 71.12 53.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.506 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 164.94 32.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 1.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -126.26 117.27 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.672 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.2 m-20 -93.54 146.07 24.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.576 ' HD2' ' HB2' ' B' ' 79' ' ' ALA . 39.6 t-80 -136.24 121.62 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.545 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.468 ' CZ ' ' CD2' ' B' ' 14' ' ' TYR . 16.8 m-30 -113.99 145.61 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 137.41 48.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.77 ' CE1' HG23 ' B' ' 109' ' ' VAL . 16.2 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.77 HG23 ' CE1' ' B' ' 103' ' ' PHE . 46.6 t -68.57 115.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 1.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.558 ' O ' HG12 ' B' ' 110' ' ' VAL . 58.0 t -135.18 10.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.09 121.14 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 110.049 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.783 ' HE1' ' CG ' ' B' ' 30' ' ' PHE . 1.7 mtt -145.65 153.54 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -155.0 143.05 20.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.213 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -111.31 169.17 8.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.654 HD11 ' HE1' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -143.97 104.53 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.914 ' O ' HG21 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -121.79 177.56 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 111.06 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.97 -173.66 45.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.37 -27.14 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 1.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -66.3 -13.26 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.0 109.256 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.692 ' ND2' ' HB3' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -110.82 31.82 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 1.0 109.244 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.876 HG12 HG22 ' B' ' 95' ' ' VAL . 5.1 mt -122.4 149.63 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.448 ' HB2' HG12 ' B' ' 94' ' ' VAL . 4.1 m-70 -143.26 102.19 3.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.4 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -63.87 164.66 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.52 -178.54 47.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 1.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 1.0 109.283 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.58 ' OG1' ' CD2' ' A' ' 6' ' ' HIS . 34.3 p -116.38 155.45 48.46 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 1.0 110.462 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.6 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.18 -43.32 78.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 1.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.58 ' CD2' ' OG1' ' A' ' 3' ' ' THR . 11.6 m-70 -71.6 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.937 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 30.8 mtm -58.29 -57.87 10.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.697 HG23 ' HB ' ' A' ' 71' ' ' VAL . 7.2 m -57.54 -48.22 79.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.75 72.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 6' ' ' HIS . 2.9 t -62.39 -43.23 97.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.618 1.198 . . . . 1.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.743 HG22 ' HZ ' ' A' ' 101' ' ' PHE . 56.0 t -58.57 -42.82 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -58.16 9.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -35.88 63.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 1.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' HH ' ' HE2' ' A' ' 55' ' ' TYR . 50.5 t80 -67.38 -48.15 68.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.694 HG21 ' CD2' ' A' ' 67' ' ' LEU . 3.0 t -54.34 -46.53 69.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.34 -62.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -44.36 -39.96 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HA ' HD11 ' A' ' 26' ' ' ILE . 30.9 tp -58.47 -55.45 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -15.13 58.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.93 -13.26 36.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.457 ' HA2' HD21 ' A' ' 59' ' ' LEU . . . 66.93 25.51 73.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.574 1.171 . . . . 1.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.596 ' O ' HD12 ' A' ' 26' ' ' ILE . 12.7 t0 -83.22 90.19 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 1.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 52' ' ' ARG . 3.6 mt -70.22 -51.69 28.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 1.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -54.67 31.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -60.49 -59.98 9.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 44.6 mt -42.0 -37.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.582 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.1 t -68.26 -49.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 1.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -62.82 -14.01 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.314 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -64.18 -45.49 88.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.907 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.7 p90 -115.53 -176.57 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -46.5 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -16.63 18.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 1.0 109.252 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.78 12.06 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.82 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -52.75 160.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 1.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.719 HG22 ' CB ' ' A' ' 46' ' ' SER . 31.6 p -123.0 107.73 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 1.0 110.407 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 51' ' ' ILE . 41.1 t -90.07 137.75 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -124.17 62.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.507 ' CB ' ' HB3' ' A' ' 114' ' ' ALA . 1.7 p-10 -138.92 130.42 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.1 -144.06 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.975 -2.511 . . . . 1.0 110.95 0.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.014 HG21 HG11 ' B' ' 74' ' ' VAL . 2.1 t -94.78 -178.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.359 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.69 ' H ' HG12 ' A' ' 40' ' ' VAL . . . 112.59 9.44 19.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 1.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 p 69.58 174.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 68.98 71.22 0.38 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.01 -170.4 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 1.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.571 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.5 mmt-85 -128.51 108.54 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.719 ' CB ' HG22 ' A' ' 35' ' ' THR . 82.3 p -104.62 122.38 45.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 1.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.41 172.12 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.527 HG22 HG11 ' A' ' 27' ' ' VAL . 1.3 m -74.53 -51.96 13.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 1.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.6 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -65.86 -63.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.907 HG21 ' CE1' ' A' ' 30' ' ' PHE . 97.5 mt -47.77 -47.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -62.42 -36.0 81.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.63 -52.0 67.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 1.2 m-30 -62.9 -63.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 1.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 59' ' ' LEU . 14.5 m-85 -49.52 -27.85 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -74.79 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -43.88 -39.79 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -52.61 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -54.46 -19.66 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 1.0 109.36 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.71 -29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.9 tp -105.42 139.59 20.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.592 1.838 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 ' HE1' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -77.2 174.79 10.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.67 113.04 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.85 HG22 HG12 ' A' ' 84' ' ' VAL . 37.4 t -86.49 148.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 6.1 pt-20 -162.28 122.76 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 1.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.694 ' CD2' HG21 ' A' ' 15' ' ' VAL . 1.8 mm? -59.1 142.64 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.511 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 7.6 t -142.77 14.55 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -141.08 -96.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 178.83 179.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.921 HG22 ' CB ' ' A' ' 80' ' ' PHE . 45.2 t -122.1 128.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.495 ' NH1' ' ND2' ' B' ' 120' ' ' ASN . 8.1 mtp85 -115.36 107.31 15.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 1.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.937 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -94.59 136.79 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.76 HG11 HG21 ' B' ' 40' ' ' VAL . 1.4 t -133.28 -147.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -48.52 95.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 1.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.7 m120 39.19 30.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.228 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -124.92 160.77 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 1.0 110.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -151.22 110.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.6 ' HB3' HD22 ' B' ' 115' ' ' LEU . . . -125.88 114.3 18.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.921 ' CB ' HG22 ' A' ' 71' ' ' VAL . 30.7 p90 -126.06 163.4 23.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.421 1.076 . . . . 1.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -118.63 131.7 56.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.608 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 18.9 p90 -140.06 173.64 11.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 1.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.511 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.85 167.74 9.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.453 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.85 HG12 HG22 ' A' ' 65' ' ' VAL . 7.1 m -153.02 132.93 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -109.86 118.61 36.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 110.022 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 12.5 m-30 -107.01 97.87 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 tttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 85' ' ' SER . 1.8 m -103.94 162.01 13.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 1.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.741 HG12 ' O ' ' A' ' 94' ' ' VAL . 1.6 t -138.02 89.02 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.897 HG22 HG12 ' A' ' 121' ' ' ILE . 55.7 t -86.67 159.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -128.63 77.63 77.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.94 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 1.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.492 ' CG1' ' HG3' ' B' ' 72' ' ' ARG . 1.5 mt -130.4 119.47 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.684 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -88.93 143.47 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.437 ' NE2' HD11 ' B' ' 115' ' ' LEU . 0.4 OUTLIER -154.18 100.78 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.57 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.743 ' HZ ' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -127.24 177.48 6.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.739 ' O ' HG13 ' A' ' 109' ' ' VAL . 11.5 mtp180 -122.97 178.86 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.707 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -133.16 127.61 34.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 109.231 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.726 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 102' ' ' ARG . 9.1 t -55.58 116.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.82 HG13 ' HA ' ' A' ' 34' ' ' ALA . 97.2 t -117.44 -69.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 1.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.0 m -72.57 122.93 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 1.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.49 ' CE ' HG12 ' A' ' 109' ' ' VAL . 5.2 mtt -138.32 138.18 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -140.35 135.47 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.524 ' O ' HG22 ' A' ' 40' ' ' VAL . . . -117.15 156.15 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.867 HD21 ' OE1' ' B' ' 77' ' ' GLU . 0.7 OUTLIER -136.1 151.74 50.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -166.62 146.04 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -154.15 170.07 32.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 1.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.41 -3.7 35.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 1.0 110.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.9 tptm -74.04 -4.05 33.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.085 . . . . 1.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -152.73 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 1.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.897 HG12 HG22 ' A' ' 95' ' ' VAL . 5.7 mt -130.58 141.66 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -129.26 81.41 2.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 1.0 109.55 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.68 122.35 27.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.35 179.48 25.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 1.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.413 0.713 . . . . 1.0 109.297 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.486 0.184 . . . . 1.0 110.924 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.66 87.98 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.714 ' O ' ' HE2' ' B' ' 7' ' ' MET . 0.6 OUTLIER -156.29 155.87 29.5 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.391 1.057 . . . . 1.0 110.425 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -42.13 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 1.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.684 ' CB ' HG23 ' B' ' 3' ' ' THR . 7.0 t-160 -70.43 -64.88 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 1.0 109.65 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.95 ' SD ' ' HB1' ' B' ' 73' ' ' ALA . 23.3 ptp -50.55 -43.02 56.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.516 ' N ' ' HG3' ' B' ' 7' ' ' MET . 97.6 m -63.09 -41.6 99.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.45 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.94 -44.42 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.352 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.697 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 2.6 t -54.38 -50.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -58.61 -43.33 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -45.05 93.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.756 ' CE1' HD21 ' B' ' 18' ' ' LEU . 85.9 t80 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.849 HG13 HG12 ' B' ' 65' ' ' VAL . 6.1 t -47.65 -47.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.82 -52.56 40.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.451 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -62.1 -33.84 75.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.756 HD21 ' CE1' ' B' ' 14' ' ' TYR . 4.6 mm? -62.92 -45.19 93.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . 0.674 ' OD1' ' HB1' ' B' ' 64' ' ' ALA . 2.6 t30 -65.9 -34.37 77.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.74 -7.3 57.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.725 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 67.43 16.77 67.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.568 1.167 . . . . 1.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.687 ' O ' HD12 ' B' ' 26' ' ' ILE . 7.7 t0 -58.96 97.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 0.728 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.8 OUTLIER -74.64 -74.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -47.99 -42.26 27.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.56 -60.92 7.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 1.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.687 HD12 ' O ' ' B' ' 22' ' ' ASP . 54.7 mt -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.953 HG13 HG23 ' B' ' 48' ' ' THR . 3.0 t -77.78 -33.52 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -85.07 -6.27 59.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 9.0 tt -63.44 -45.53 90.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.828 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.5 p90 -106.21 -177.25 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.583 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.48 169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.419 ' HA ' ' OG1' ' B' ' 48' ' ' THR . 3.4 p30 -93.56 -4.59 50.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 1.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -136.41 28.03 3.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.361 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.82 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -71.97 163.4 27.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 82.0 p -113.32 121.1 43.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.788 HG21 HG23 ' B' ' 51' ' ' ILE . 86.7 t -96.08 145.39 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.412 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 9.6 tp10 -136.65 57.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 1.0 110.213 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.796 ' HB2' ' HB3' ' B' ' 114' ' ' ALA . 1.0 OUTLIER -138.05 148.53 60.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.522 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.03 -65.17 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.961 -2.516 . . . . 1.0 111.008 0.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.76 HG21 HG11 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -155.14 -176.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.65 11.33 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 1.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t 65.42 -179.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 1.0 109.948 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 66.57 75.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.6 39.6 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.509 1.794 . . . . 1.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.996 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 0.7 OUTLIER -92.84 117.31 29.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 110.349 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -103.55 122.82 45.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 112.22 124.95 4.44 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.142 . . . . 1.0 111.088 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.953 HG23 HG13 ' B' ' 27' ' ' VAL . 2.9 m -44.38 -25.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 1.0 110.393 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -63.99 -56.55 14.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 1.0 109.356 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.996 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -65.64 -26.15 67.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 1.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.828 HG21 ' CE1' ' B' ' 30' ' ' PHE . 79.0 mt -67.37 -69.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.67 ' CB ' HG21 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -50.63 -34.61 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 1.0 110.286 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -58.97 -58.34 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 1.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -56.8 10.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.466 ' HB3' ' CD2' ' B' ' 23' ' ' LEU . 2.1 m-85 -50.55 -28.53 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -74.87 -53.96 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -60.32 -23.45 64.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 1.143 . . . . 1.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -66.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 1.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.725 HD22 ' HA2' ' B' ' 21' ' ' GLY . 0.9 OUTLIER -53.88 -19.8 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -40.06 -29.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' B' ' 86' ' ' PHE . 10.9 tp -83.12 139.3 42.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 1.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.1 Cg_endo -74.98 77.94 3.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 1.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.83 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.674 ' HB1' ' OD1' ' B' ' 19' ' ' ASN . . . -150.68 118.7 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.849 HG12 HG13 ' B' ' 15' ' ' VAL . 79.3 t -87.1 143.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -144.96 148.6 34.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.416 ' O ' ' HB ' ' B' ' 68' ' ' THR . 0.3 OUTLIER -86.71 142.71 27.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.458 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.2 t 179.14 67.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.1 OUTLIER -179.12 -147.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 50.6 mp0 -112.69 164.55 13.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.909 HG22 ' CB ' ' B' ' 80' ' ' PHE . 59.1 t -130.88 96.85 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.492 ' HG3' ' CG1' ' A' ' 98' ' ' ILE . 10.0 mmt180 -71.03 89.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 110.317 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.95 ' HB1' ' SD ' ' B' ' 7' ' ' MET . . . -90.8 156.47 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 1.014 HG11 HG21 ' A' ' 40' ' ' VAL . 2.4 p -171.55 -148.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.78 ' N ' HG13 ' B' ' 74' ' ' VAL . . . -45.36 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 1.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.4 OUTLIER 36.02 32.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.867 ' OE1' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -126.09 152.38 45.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 110.266 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 100' ' ' HIS . . . -147.82 119.11 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' HB2' ' B' ' 100' ' ' HIS . . . -124.93 91.43 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.909 ' CB ' HG22 ' B' ' 71' ' ' VAL . 30.4 p90 -109.2 161.38 15.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 1.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' B' ' 69' ' ' GLN . . . -115.41 124.25 50.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 1.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 9.7 p90 -123.67 -175.69 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.458 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -125.07 153.26 43.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.596 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.9 OUTLIER -127.6 121.1 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.581 ' HA ' HG23 ' B' ' 94' ' ' VAL . 3.7 m -95.19 119.32 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.71 ' CE1' HG23 ' B' ' 95' ' ' VAL . 2.5 p90 -150.98 133.87 15.85 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 1.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 1.0 110.282 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.313 -0.255 . . . . 1.0 110.313 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.496 ' HD2' ' HB3' ' B' ' 125' ' ' ALA . 0.0 OUTLIER -90.06 147.85 23.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.628 HG22 HG23 ' B' ' 121' ' ' ILE . 27.8 m -157.07 143.17 17.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 110.37 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.581 HG23 ' HA ' ' B' ' 85' ' ' SER . 0.5 OUTLIER -126.92 116.68 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.89 HG22 HG12 ' B' ' 121' ' ' ILE . 99.5 t -94.49 168.04 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -137.06 74.39 49.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.581 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.14 159.12 41.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 1.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' A' ' 72' ' ' ARG . 26.3 mt -109.81 116.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' B' ' 80' ' ' PHE . 1.5 m-20 -93.4 124.17 37.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -139.08 120.25 14.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.656 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.516 ' CB ' ' HA ' ' B' ' 112' ' ' MET . 5.6 p90 -156.19 169.72 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 111.072 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.585 ' O ' HG13 ' B' ' 109' ' ' VAL . 4.6 ptm180 -133.32 159.41 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.698 ' CB ' HG22 ' B' ' 109' ' ' VAL . 1.7 p90 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 1.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.458 ' C ' ' HB2' ' B' ' 103' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.698 HG22 ' CB ' ' B' ' 103' ' ' PHE . 2.1 t -91.37 128.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.499 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 38.6 t -128.26 3.26 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.44 121.37 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.516 ' HA ' ' CB ' ' B' ' 101' ' ' PHE . 1.1 ptm -151.85 147.8 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.512 ' HB2' ' CE1' ' B' ' 100' ' ' HIS . 1.9 mtm180 -140.48 170.03 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.796 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -145.1 164.38 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 1.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -134.03 106.64 7.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' B' ' 95' ' ' VAL . 8.7 t80 -112.94 75.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.07 -176.98 32.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -109.96 0.31 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 1.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.33 23.03 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.634 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 2.0 p30 -146.95 52.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.212 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.89 HG12 HG22 ' B' ' 95' ' ' VAL . 7.8 mt -133.61 143.77 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.449 ' HB2' HG12 ' B' ' 94' ' ' VAL . 7.7 m-70 -133.95 101.44 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 1.0 109.555 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.403 ' HA ' ' HG1' ' B' ' 93' ' ' THR . . . -78.36 172.72 13.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.08 173.83 39.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 1.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.496 ' HB3' ' HD2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.517 ' O ' ' SD ' ' A' ' 7' ' ' MET . 31.0 p -92.79 155.65 41.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 1.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.612 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 13.0 pt-20 -68.42 -28.49 67.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.421 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 7.1 t60 -75.99 -65.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.585 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.832 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -52.38 -44.38 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.803 HG23 HG11 ' A' ' 71' ' ' VAL . 88.7 m -65.6 -44.23 87.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -58.57 -32.94 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.778 HG13 HD22 ' A' ' 29' ' ' LEU . 3.7 t -69.28 -48.7 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.642 HG11 ' CD2' ' A' ' 80' ' ' PHE . 2.6 t -52.92 -41.83 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -50.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -33.69 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.348 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.513 ' HB2' HD13 ' A' ' 29' ' ' LEU . 3.0 t80 -67.35 -47.12 71.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.931 HG21 ' CD2' ' A' ' 67' ' ' LEU . 3.3 t -57.95 -47.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -53.8 52.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 1.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.51 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.74 HD23 ' CG2' ' A' ' 65' ' ' VAL . 13.1 tp -57.29 -54.13 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.755 ' ND2' ' HB1' ' A' ' 64' ' ' ALA . 10.8 t-20 -57.75 -24.66 58.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.76 30.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 1.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.15 40.54 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 1.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.737 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.6 t0 -92.82 94.9 9.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 1.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -74.78 -75.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 1.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.435 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 5.8 t0 -50.95 -39.68 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -59.84 -60.34 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 1.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 22' ' ' ASP . 42.5 mt -52.31 -28.65 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 1.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 13.7 t -78.23 -30.05 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 1.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -84.95 -11.7 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.778 HD22 HG13 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -60.47 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 23.7 p90 -84.6 -175.44 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -49.39 177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 48' ' ' THR . 5.6 t70 -105.48 -12.15 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.17 27.14 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.646 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -75.49 178.23 6.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.556 HG22 ' HB2' ' A' ' 46' ' ' SER . 26.7 p -126.81 125.07 41.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.769 HG21 HG23 ' A' ' 51' ' ' ILE . 87.6 t -97.55 137.74 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 34.0 mt-10 -135.35 64.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.473 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -109.04 134.71 20.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.776 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.96 -49.33 0.23 Allowed 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.046 -2.481 . . . . 1.0 110.943 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.005 HG21 HG11 ' B' ' 74' ' ' VAL . 2.4 t -115.84 -174.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.764 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -52.23 -19.47 5.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 1.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -53.32 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER 82.56 76.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 166.16 29.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.446 1.761 . . . . 1.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.41 146.1 36.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 1.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.556 ' HB2' HG22 ' A' ' 35' ' ' THR . 9.6 p -139.94 136.29 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 1.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 147.98 23.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -62.47 -12.71 23.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 0.753 . . . . 1.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.11 -66.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.769 HG23 HG21 ' A' ' 36' ' ' VAL . 68.0 mt -67.72 -68.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 40.0 ttm180 -50.32 -34.05 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 6.6 tt0 -62.61 -64.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 1.0 110.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.649 ' CE1' ' NH1' ' A' ' 45' ' ' ARG . 10.1 t80 -54.09 -51.77 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.06 -32.29 66.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 1.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -68.32 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -52.85 -21.11 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 1.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t -73.71 -59.7 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 1.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.703 HD11 HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.98 -21.48 58.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.356 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.36 -23.49 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.837 HD23 HD23 ' A' ' 63' ' ' LEU . 12.8 tp -79.27 134.3 59.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.757 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 70.13 5.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.837 HD23 HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -125.34 -176.41 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.755 ' HB1' ' ND2' ' A' ' 19' ' ' ASN . . . -145.77 164.9 30.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.74 ' CG2' HD23 ' A' ' 18' ' ' LEU . 91.3 t -138.63 137.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 1.2 tt0 -151.84 139.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 1.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.931 ' CD2' HG21 ' A' ' 15' ' ' VAL . 2.0 mm? -81.57 116.22 21.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -113.78 -26.63 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -87.16 -93.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.14 175.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.803 HG11 HG23 ' A' ' 8' ' ' THR . 62.0 t -115.23 123.46 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.791 ' HG3' HD12 ' B' ' 98' ' ' ILE . 3.7 mmm180 -98.21 82.38 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.832 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -88.63 126.82 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.798 HG13 ' N ' ' A' ' 75' ' ' ALA . 2.3 p -144.94 -148.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.798 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -41.56 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 1.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' VAL . 2.3 m-80 36.81 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' CD ' HD21 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -122.82 158.75 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -152.4 86.36 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 1.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.084 ' HB1' ' CE1' ' A' ' 100' ' ' HIS . . . -100.6 96.51 7.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.711 ' HB3' HG13 ' A' ' 71' ' ' VAL . 45.2 p90 -114.14 149.21 35.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 1.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.532 ' O ' HD13 ' A' ' 67' ' ' LEU . . . -108.85 125.54 52.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 1.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.737 ' CD2' HG13 ' A' ' 65' ' ' VAL . 44.1 p90 -128.89 168.67 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -111.51 144.93 39.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -118.99 129.7 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 48.8 m -108.86 120.32 42.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.898 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.7 p90 -141.51 147.0 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 110.284 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.604 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 87.1 m -146.47 143.83 29.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -130.08 122.95 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.898 HG23 ' CE1' ' A' ' 86' ' ' PHE . 21.7 t -103.12 170.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.968 ' HB3' ' ND2' ' A' ' 120' ' ' ASN . . . -143.46 68.59 17.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.567 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 18.3 Cg_endo -75.0 161.34 38.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 1.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.707 HD12 ' HG3' ' B' ' 72' ' ' ARG . 10.6 mt -114.05 116.0 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 1.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -89.78 135.99 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 1.084 ' CE1' ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -122.71 93.94 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.0 109.603 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 11' ' ' VAL . 6.0 m-30 -90.08 147.48 23.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -131.16 116.38 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -82.94 123.75 29.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 1.0 111.052 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 1.0 109.304 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 102' ' ' ARG . 18.0 t -51.57 116.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 108' ' ' LYS . 76.0 t -110.33 -4.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 1.0 109.384 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -160.4 132.95 6.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 1.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.569 ' HB2' ' CD1' ' A' ' 101' ' ' PHE . 5.0 ptp -151.57 133.13 14.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.475 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -133.99 142.53 47.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -101.96 168.15 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' B' ' 77' ' ' GLU . 0.3 OUTLIER -142.67 106.49 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.361 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 39' ' ' PRO . 6.5 m-85 -100.76 -175.4 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.66 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -169.14 172.6 43.43 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.527 1.142 . . . . 1.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.4 -7.6 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 1.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.38 17.62 20.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.968 ' ND2' ' HB3' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -122.07 24.78 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.66 HD11 ' O ' ' A' ' 117' ' ' GLY . 2.0 mt -126.51 149.48 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.9 OUTLIER -141.6 102.63 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.638 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.79 170.14 16.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.7 179.37 39.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.441 1.088 . . . . 1.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.74 . . . . 1.0 109.354 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.197 . . . . 1.0 110.985 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 170.11 103.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.846 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -151.1 153.26 32.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 110.404 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.584 ' HA ' ' CG ' ' B' ' 7' ' ' MET . 18.2 Cg_endo -75.06 -36.24 2.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.3 pt-20 -61.64 -30.12 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 1.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.846 ' HB2' HG23 ' B' ' 3' ' ' THR . 9.1 m170 -80.51 -67.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.74 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 1.5 ptm -48.08 -40.05 22.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 1.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.665 HG23 HG11 ' B' ' 71' ' ' VAL . 55.8 m -71.68 -49.73 36.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 1.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -53.76 -36.06 61.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 1.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.917 HG13 HD22 ' B' ' 29' ' ' LEU . 5.2 t -69.84 -47.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.589 HG13 ' CE1' ' B' ' 80' ' ' PHE . 2.5 t -50.55 -39.76 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -67.82 -56.27 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -54.28 -29.12 46.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 1.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.503 ' HH ' ' HE2' ' B' ' 55' ' ' TYR . 7.6 t80 -71.81 -52.04 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 1.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 t -52.5 -46.48 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.21 70.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.506 ' O ' HD11 ' B' ' 26' ' ' ILE . . . -55.75 -24.7 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.692 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.0 tp -78.11 -48.2 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.196 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -56.83 -31.51 64.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 1.0 109.418 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.49 -24.94 36.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 1.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 70.48 52.48 16.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 111.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' B' ' 17' ' ' ALA . 3.8 p30 -110.8 89.24 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.705 HD21 HD12 ' B' ' 59' ' ' LEU . 7.1 mt -59.93 -41.44 91.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.14 -55.04 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -65.31 -63.44 4.12 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.708 HG22 ' HE2' ' B' ' 30' ' ' PHE . 71.1 mt -40.89 -38.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 1.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 23' ' ' LEU . 24.3 t -68.66 -48.84 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 1.0 109.23 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -64.5 -12.0 39.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.917 HD22 HG13 ' B' ' 10' ' ' VAL . 0.4 OUTLIER -70.02 -65.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.708 ' HE2' HG22 ' B' ' 26' ' ' ILE . 28.5 p90 -90.73 -176.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -50.84 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' B' ' 48' ' ' THR . 0.2 OUTLIER -110.76 5.74 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -145.79 19.85 1.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 1.0 109.383 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.605 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -64.84 -177.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.691 HG22 ' CB ' ' B' ' 46' ' ' SER . 61.7 p -133.66 121.74 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.764 HG23 HG12 ' B' ' 51' ' ' ILE . 29.4 t -98.94 137.83 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' B' ' 113' ' ' ARG . 7.2 tp10 -140.74 92.72 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.6 OUTLIER -147.47 145.58 22.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 1.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.583 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.2 Cg_endo -75.01 -63.53 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.027 -2.489 . . . . 1.0 111.004 0.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.583 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -160.99 166.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 109.288 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 119.02 5.69 11.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 1.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 84.97 -178.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 1.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 76.8 69.86 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -177.74 3.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 1.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.529 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 4.6 mmm-85 -139.71 98.21 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.691 ' CB ' HG22 ' B' ' 35' ' ' THR . 24.6 p -92.31 140.59 29.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.21 147.12 20.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 1.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.487 ' CG2' HG13 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -61.8 -21.46 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 1.0 110.421 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.25 -60.48 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 1.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -63.16 -34.23 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.764 HG12 HG23 ' B' ' 36' ' ' VAL . 52.6 mt -66.32 -68.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 17.3 ttp180 -52.1 -33.69 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 1.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 19.6 mt-10 -63.62 -44.34 94.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 1.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -54.82 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.592 ' HE1' HG11 ' B' ' 36' ' ' VAL . 20.7 m-85 -59.96 -28.05 67.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 1.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -78.26 -73.66 0.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 1.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.55 -29.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.41 ' N ' ' C ' ' B' ' 56' ' ' ALA . 98.5 p -82.96 -45.74 13.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 1.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.705 HD12 HD21 ' B' ' 23' ' ' LEU . 7.3 mt -55.55 -20.95 14.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 1.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' B' ' 63' ' ' LEU . 10.0 tp -96.69 140.5 22.18 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.98 55.39 3.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.407 1.74 . . . . 1.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.62 ' CD2' HD23 ' B' ' 61' ' ' LEU . 26.2 mt -53.8 166.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.928 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -141.32 64.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' B' ' 84' ' ' VAL . 33.0 t -76.55 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 1.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.74 146.06 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 1.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' B' ' 68' ' ' THR . 3.1 mt -74.6 156.0 37.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' B' ' 69' ' ' GLN . 0.1 OUTLIER 174.65 57.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -167.95 -92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.425 ' HG3' ' NH1' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -167.93 161.72 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.91 HG22 ' CB ' ' B' ' 80' ' ' PHE . 96.1 t -127.16 117.12 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.707 ' HG3' HD12 ' A' ' 98' ' ' ILE . 16.1 mmp_? -89.37 82.15 6.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.74 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -90.83 114.06 26.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 1.005 HG11 HG21 ' A' ' 40' ' ' VAL . 1.4 t -136.41 -146.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.476 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -44.37 90.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 74' ' ' VAL . 26.0 m-20 35.35 35.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 1.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.64 ' HB3' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -132.95 105.32 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 1.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.22 95.26 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.562 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -107.21 97.34 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.91 ' CB ' HG22 ' B' ' 71' ' ' VAL . 48.4 p90 -117.16 161.9 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.487 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -114.21 126.54 55.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.469 ' HD2' HG13 ' B' ' 65' ' ' VAL . 36.7 p90 -130.25 -177.92 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 1.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.487 ' O ' HG13 ' B' ' 65' ' ' VAL . 0.0 OUTLIER -118.83 158.88 24.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.67 HG22 ' O ' ' B' ' 84' ' ' VAL . 0.3 OUTLIER -136.78 100.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.928 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -79.96 126.45 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 1.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.644 ' CE1' HG23 ' B' ' 95' ' ' VAL . 5.5 p90 -155.65 137.07 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.468 ' CG ' ' HG2' ' B' ' 92' ' ' LYS . 25.3 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.33 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.315 -0.254 . . . . 1.0 110.315 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.602 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 3.8 mttp -100.88 158.37 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 28.2 m -156.74 154.41 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 110.395 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.461 ' O ' HG13 ' B' ' 94' ' ' VAL . 8.1 p -142.9 117.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 1.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.661 ' HB ' HG13 ' B' ' 84' ' ' VAL . 21.7 t -94.89 165.58 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.46 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -138.92 67.95 42.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.586 ' HB3' ' CD1' ' B' ' 116' ' ' PHE . 18.1 Cg_endo -75.04 162.41 37.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 1.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.791 HD12 ' HG3' ' A' ' 72' ' ' ARG . 33.4 mt -112.64 116.4 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 1.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.583 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 1.0 OUTLIER -87.24 142.59 27.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 11.3 t-80 -140.65 95.1 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 109.605 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 15.7 m-30 -96.02 140.98 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 1.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 114.61 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 16.4 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 17.4 t -93.0 119.13 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.533 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 77.0 t -115.93 -8.26 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . 0.45 ' OG ' ' NH2' ' B' ' 113' ' ' ARG . 4.8 t -147.92 133.23 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 1.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 133.76 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.471 ' HG2' ' CG ' ' B' ' 37' ' ' GLU . 3.7 mtt85 -133.51 148.3 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 39' ' ' PRO . . . -117.97 161.98 18.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.494 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.5 mp -137.82 120.36 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' B' ' 97' ' ' PRO . 3.9 m-85 -110.98 -175.74 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.98 39.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 1.0 111.033 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.87 -69.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 1.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -60.28 -14.72 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 1.0 109.237 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.559 ' ND2' ' CZ ' ' A' ' 72' ' ' ARG . 2.0 t-20 -54.91 -19.09 5.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.6 mt -96.2 134.91 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.1 OUTLIER -125.34 92.64 3.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 1.0 109.61 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.495 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -61.96 169.83 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . 171.8 173.11 38.39 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 1.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.602 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 1.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.259 -0.645 . . . . 1.0 109.259 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p -98.44 155.47 36.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 1.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -32.49 5.31 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.526 1.803 . . . . 1.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.2 -46.91 86.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 1.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.412 ' HD2' HG23 ' A' ' 10' ' ' VAL . 2.1 t-160 -71.58 -45.37 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.543 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.827 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 11.5 mtm -53.62 -50.68 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -64.1 -48.41 76.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.34 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 1.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG13 HD21 ' A' ' 29' ' ' LEU . 4.4 t -68.78 -40.71 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.2 t -57.42 -42.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -52.43 50.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 1.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB3' HD11 ' A' ' 29' ' ' LEU . 6.8 ttm180 -56.79 -35.29 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 110.232 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.519 ' HA ' HD13 ' A' ' 29' ' ' LEU . 11.2 t80 -65.67 -54.1 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 1.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.814 HG11 ' HA ' ' A' ' 66' ' ' GLU . 80.9 t -58.46 -61.2 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.47 -45.12 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 1.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' HG12 ' A' ' 26' ' ' ILE . . . -60.19 -37.75 81.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.203 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.53 ' HA ' HD11 ' A' ' 26' ' ' ILE . 23.5 tp -62.97 -57.65 10.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.59 -23.88 59.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 1.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.09 46.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 86.32 46.05 5.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 1.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -98.65 91.83 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 0.796 . . . . 1.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.94 HD11 ' HB2' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -67.03 -69.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -35.07 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.372 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.15 -62.07 6.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 1.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.575 HG21 ' HE2' ' A' ' 55' ' ' TYR . 51.2 mt -53.22 -45.8 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 23' ' ' LEU . 59.5 t -60.41 -30.62 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.15 -21.07 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.26 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 10' ' ' VAL . 4.2 tt -56.71 -49.27 75.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 7.6 p90 -108.69 -175.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.627 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -44.84 167.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 1.01 ' O ' HG23 ' A' ' 48' ' ' THR . 1.7 m-20 -98.19 -10.82 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 1.0 109.395 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.11 15.27 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -56.85 160.7 3.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 1.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.556 HG22 ' CB ' ' A' ' 46' ' ' SER . 69.7 p -112.95 142.49 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' PRO . 3.1 t -116.41 153.53 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 1.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 3.3 tm-20 -159.49 60.17 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -129.65 134.87 26.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.378 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.609 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -75.08 -69.12 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.065 -2.473 . . . . 1.0 111.017 0.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.868 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -156.78 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.283 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 123.87 0.09 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.401 1.063 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 85.54 -172.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 109.989 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' SER . 10.7 pt-20 42.4 81.49 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 1.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.04 154.1 42.08 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.451 1.764 . . . . 1.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -104.37 105.67 15.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.556 ' CB ' HG22 ' A' ' 35' ' ' THR . 11.6 p -110.11 166.65 10.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 91.99 125.1 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.01 HG23 ' O ' ' A' ' 32' ' ' ASP . 9.9 p -41.29 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 1.0 110.411 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -66.09 -61.97 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -59.94 -50.16 74.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.511 HG23 ' CE1' ' A' ' 55' ' ' TYR . 3.6 mt -56.44 -31.02 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.735 ' HG3' HD12 ' A' ' 23' ' ' LEU . 10.2 ttt180 -74.76 -73.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 1.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -45.84 -30.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 15.8 t80 -72.81 -67.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' HE2' HG21 ' A' ' 26' ' ' ILE . 5.8 m-85 -47.72 -42.21 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 1.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -64.59 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -45.34 -26.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' ALA . 3.8 t -79.64 -43.04 23.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -62.18 -24.25 67.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -22.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HD2' ' A' ' 62' ' ' PRO . 9.6 tp -98.16 140.27 21.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.535 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.07 55.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.427 1.751 . . . . 1.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.044 HD11 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -93.41 144.95 24.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.518 1.136 . . . . 1.0 109.349 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.874 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -121.64 105.0 10.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.044 HG23 HD11 ' A' ' 63' ' ' LEU . 5.9 t -103.88 140.78 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.814 ' HA ' HG11 ' A' ' 15' ' ' VAL . 8.6 tt0 -172.95 147.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.408 1.068 . . . . 1.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 67' ' ' LEU . 2.3 pp -77.06 157.77 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.17 53.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 1.0 110.451 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -166.02 -98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.67 161.01 38.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 1.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.927 HG22 ' CB ' ' A' ' 80' ' ' PHE . 62.4 t -129.42 118.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -86.46 74.32 9.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.827 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -90.54 77.66 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 1.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.921 HG13 HG21 ' B' ' 40' ' ' VAL . 10.0 p -141.29 155.53 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.609 ' HB3' HG11 ' B' ' 40' ' ' VAL . . . 54.26 49.92 17.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 46.38 33.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 1.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' OE1' ' NE2' ' A' ' 100' ' ' HIS . 1.2 mt-10 -136.05 125.7 25.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 1.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.76 88.3 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 1.0 109.234 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . . . -101.95 84.51 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.927 ' CB ' HG22 ' A' ' 71' ' ' VAL . 38.8 p90 -107.07 165.07 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -111.65 130.95 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.781 ' CD2' HG13 ' A' ' 65' ' ' VAL . 44.8 p90 -136.23 160.78 37.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -101.52 165.15 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.691 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -149.21 113.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.85 122.28 40.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.618 ' CZ ' ' HB ' ' A' ' 93' ' ' THR . 2.9 p90 -140.38 134.04 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 110.318 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.618 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 17.2 m -135.04 154.69 51.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -132.65 113.16 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.75 HG22 ' CG1' ' A' ' 121' ' ' ILE . 79.1 t -98.08 148.79 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' B' ' 72' ' ' ARG . . . -126.4 68.89 67.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.684 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.2 Cg_endo -75.08 170.36 20.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 1.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.582 HD11 ' CZ ' ' B' ' 72' ' ' ARG . 67.4 mt -114.85 117.42 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.569 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.2 m-20 -89.12 125.82 35.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 77' ' ' GLU . 1.1 t-80 -121.52 104.62 9.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 1.0 109.651 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 101' ' ' PHE . 8.1 m-30 -99.69 162.52 12.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 1.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.435 HH21 ' CE1' ' A' ' 100' ' ' HIS . 5.3 ttm180 -127.58 127.2 43.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 1.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.77 ' CZ ' HG23 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -111.07 113.67 26.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.77 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 21.2 t -65.53 129.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 110' ' ' VAL . 52.4 t -134.8 10.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.0 146.29 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.525 ' HE2' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -159.19 103.65 1.65 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.067 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 9.2 mtt180 -117.31 173.63 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -142.77 159.79 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 1.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.408 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.8 OUTLIER -140.62 103.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.8 OUTLIER -114.82 125.17 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.684 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -91.14 -172.36 43.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -108.24 5.65 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 1.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 11.14 10.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 1.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.488 ' C ' HD12 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -120.04 35.68 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 1.0 109.329 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.75 ' CG1' HG22 ' A' ' 95' ' ' VAL . 5.1 mp -132.48 148.97 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 1.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.474 ' HB2' HG12 ' A' ' 94' ' ' VAL . 4.4 m-70 -130.02 104.69 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.82 158.68 15.74 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 1.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.75 174.98 44.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 1.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 1.0 109.239 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.447 0.165 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 72.36 54.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 38.4 p -95.32 155.58 38.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.37 2.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 1.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 2.8 mt-10 -66.11 -39.24 89.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.895 ' O ' HG23 ' B' ' 10' ' ' VAL . 15.1 t60 -70.67 -48.12 56.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 1.0 109.607 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' B' ' 77' ' ' GLU . 62.9 mtm -59.9 -60.45 3.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -54.84 -42.48 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -61.71 -36.4 80.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 1.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 6' ' ' HIS . 48.9 t -66.38 -38.35 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.595 HG22 ' CE1' ' B' ' 80' ' ' PHE . 5.5 t -62.85 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.626 1.204 . . . . 1.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -37.79 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.76 -45.0 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.76 HG13 ' CG1' ' B' ' 65' ' ' VAL . 3.0 t -61.82 -46.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.1 -60.7 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 21' ' ' GLY . . . -49.6 -44.86 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.734 HD23 HG21 ' B' ' 65' ' ' VAL . 16.4 tp -54.42 -55.15 31.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -62.01 -20.42 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.2 -16.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' B' ' 17' ' ' ALA . . . 67.46 31.19 76.13 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.103 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.464 ' C ' HD12 ' B' ' 26' ' ' ILE . 68.2 m-20 -82.53 73.1 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 0.76 . . . . 1.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.892 ' O ' HG23 ' B' ' 27' ' ' VAL . 30.8 mt -51.66 -34.74 39.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.39 -33.02 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 1.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.602 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 26.2 mt -72.83 -48.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 1.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 23' ' ' LEU . 71.4 t -63.1 -16.79 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.88 -26.87 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.59 -39.83 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.843 ' HE1' HD13 ' B' ' 51' ' ' ILE . 4.9 p90 -116.7 -174.67 2.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.663 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -50.27 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -100.9 -20.03 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -126.38 38.89 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -78.62 156.25 29.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.872 HG22 ' HB3' ' B' ' 46' ' ' SER . 24.6 p -104.32 124.84 49.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.804 HG13 ' HB2' ' B' ' 112' ' ' MET . 2.0 t -119.04 140.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HG3' ' CG ' ' B' ' 113' ' ' ARG . 9.0 pt-20 -134.13 102.39 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' B' ' 54' ' ' PHE . 1.0 OUTLIER -119.42 136.31 24.52 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.807 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -75.01 -46.58 0.36 Allowed 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 1.0 110.968 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.921 HG21 HG13 ' A' ' 74' ' ' VAL . 2.0 t -116.02 -170.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 1.0 109.365 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.797 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -50.12 -20.55 3.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.4 p -53.87 88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 1.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 41' ' ' GLY . 3.0 mm-40 81.5 78.76 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 1.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.538 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 3.4 mmt-85 -155.2 176.53 12.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.872 ' HB3' HG22 ' B' ' 35' ' ' THR . 77.4 p -170.31 156.07 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 1.0 110.002 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.36 153.67 30.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.747 HG22 ' CG1' ' B' ' 27' ' ' VAL . 39.8 p -59.8 -17.09 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 1.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -61.41 -33.13 73.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.843 HD13 ' HE1' ' B' ' 30' ' ' PHE . 9.4 mt -59.39 -62.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -62.05 -32.76 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.85 -43.13 98.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 1.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' B' ' 38' ' ' ASP . 0.3 OUTLIER -70.79 -60.08 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 1.0 111.078 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.953 ' O ' HD12 ' B' ' 59' ' ' LEU . 16.3 m-85 -54.46 -28.4 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 1.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -79.47 -50.08 11.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -48.87 -40.18 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 -49.91 15.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.962 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.953 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.4 OUTLIER -53.87 -19.78 4.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -40.02 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 1.0 109.228 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.732 HD23 ' HD1' ' B' ' 86' ' ' PHE . 15.8 tp -111.35 133.76 21.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.44 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.96 65.38 6.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 1.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 1.196 HD23 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.48 175.18 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.82 100.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.76 ' CG1' HG13 ' B' ' 15' ' ' VAL . 2.6 t -72.16 153.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -171.66 133.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.59 170.77 15.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.539 HG22 ' OG1' ' B' ' 83' ' ' THR . 0.1 OUTLIER -171.6 -45.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 110.412 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.45 -97.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.619 ' CD ' HH21 ' B' ' 72' ' ' ARG . 0.0 OUTLIER 176.68 -178.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 1.0 110.283 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.926 HG22 ' CB ' ' B' ' 80' ' ' PHE . 66.4 t -122.82 142.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.619 HH21 ' CD ' ' B' ' 70' ' ' GLU . 0.9 OUTLIER -118.91 88.73 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' B' ' 77' ' ' GLU . . . -88.47 137.6 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.868 HG11 HG21 ' A' ' 40' ' ' VAL . 1.6 t -148.07 -144.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.516 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -47.86 94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.3 OUTLIER 38.72 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 1.9 mm-40 -123.16 156.31 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.51 95.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 1.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -112.75 110.15 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 109.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.926 ' CB ' HG22 ' B' ' 71' ' ' VAL . 47.3 p90 -125.79 162.8 24.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.477 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -115.7 121.71 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 1.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' B' ' 97' ' ' PRO . 35.2 p90 -123.57 169.25 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.539 ' OG1' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -114.4 163.97 14.6 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 1.0 110.402 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.746 ' CG2' ' CE2' ' B' ' 86' ' ' PHE . 0.9 OUTLIER -152.64 128.92 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 1.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' B' ' 93' ' ' THR . 0.5 OUTLIER -98.87 98.41 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 1.0 110.019 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 1.196 ' CE1' HD23 ' B' ' 63' ' ' LEU . 44.0 m-85 -83.51 93.2 7.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 37.2 tt0 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.353 -0.239 . . . . 1.0 110.353 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 0.0 OUTLIER -148.02 98.82 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 1.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' B' ' 85' ' ' SER . 1.3 m -106.09 158.68 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 1.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.721 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.1 t -134.72 93.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.943 HG22 HG12 ' B' ' 121' ' ' ILE . 65.6 t -92.07 143.24 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -125.33 70.29 62.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.888 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.1 Cg_endo -75.04 160.58 39.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.539 1.81 . . . . 1.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.49 HD12 ' HD2' ' A' ' 72' ' ' ARG . 11.7 mt -112.66 115.11 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.591 ' OD2' ' CZ ' ' B' ' 101' ' ' PHE . 1.5 t70 -86.8 145.94 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.437 ' NE2' ' OE2' ' B' ' 77' ' ' GLU . 15.7 t-160 -139.64 111.66 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.591 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 17.8 m-85 -107.28 140.13 40.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.5 ' CZ ' ' OG ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -126.84 102.93 7.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 1.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' B' ' 109' ' ' VAL . 3.1 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' B' ' 103' ' ' PHE . 47.2 t -70.18 116.6 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' B' ' 31' ' ' ALA . 84.1 t -124.89 2.15 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 1.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . 0.5 ' OG ' ' CZ ' ' B' ' 102' ' ' ARG . 0.6 OUTLIER -136.81 128.71 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 1.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.804 ' HB2' HG13 ' B' ' 36' ' ' VAL . 2.0 mpt? -141.01 134.87 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HG3' ' B' ' 37' ' ' GLU . 3.9 tmm_? -154.32 142.72 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -111.19 174.82 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.634 ' HA ' HG22 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -148.86 95.8 2.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -101.49 -174.33 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.622 ' O ' HD12 ' B' ' 121' ' ' ILE . . . -175.18 -176.44 43.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.447 1.092 . . . . 1.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -110.52 12.39 22.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 0.788 . . . . 1.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 10.27 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.545 ' N ' HD22 ' B' ' 120' ' ' ASN . 1.2 m-80 -129.99 17.62 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 1.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.943 HG12 HG22 ' B' ' 95' ' ' VAL . 13.2 mt -111.42 139.01 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 1.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 1.6 m-70 -127.13 77.08 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 1.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.411 ' HA ' ' OG1' ' B' ' 93' ' ' THR . . . -79.69 124.72 28.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . -149.36 173.37 29.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 1.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 103' ' ' PHE . 12.8 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -142.38 154.86 64.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.774 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 18.2 Cg_endo -74.99 -28.48 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 1.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -47.65 81.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 1.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.686 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.5 m170 -72.24 -45.02 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 1.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.811 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.29 -51.75 63.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.82 -50.18 71.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 1.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.08 -43.26 51.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 6' ' ' HIS . 76.7 t -61.78 -50.78 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.638 HG22 ' CE1' ' A' ' 80' ' ' PHE . 10.8 t -52.45 -39.27 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.91 -54.77 37.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.207 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -39.19 72.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 1.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.25 -50.23 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -56.46 -55.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.182 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.56 43.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 1.037 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -60.16 -26.63 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' O ' HD21 ' A' ' 59' ' ' LEU . 9.4 tp -71.56 -53.35 14.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 1.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.6 -35.41 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 1.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -70.31 -30.8 67.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.466 ' HA2' HD22 ' A' ' 59' ' ' LEU . . . 80.91 47.24 6.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 1.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 1.037 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -108.07 87.36 2.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.747 . . . . 1.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.5 mt -63.39 -52.82 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -46.88 -47.0 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.65 -60.81 6.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.597 1.186 . . . . 1.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 22' ' ' ASP . 2.1 mt -42.36 -39.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 1.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.908 HG21 ' HG3' ' A' ' 52' ' ' ARG . 74.7 t -66.06 -49.0 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.52 -12.61 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.536 HD21 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -65.88 -44.43 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.932 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.6 p90 -115.83 -176.08 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.682 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -48.55 172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 1.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.674 ' O ' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -99.97 -11.0 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 1.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -121.15 9.57 10.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -52.5 162.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.456 HG23 ' CB ' ' A' ' 46' ' ' SER . 1.5 m -117.56 115.58 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 1.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.843 HG13 ' HG3' ' A' ' 112' ' ' MET . 3.5 t -109.2 139.78 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 109.195 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -137.9 112.16 8.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.681 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 2.6 t0 -155.22 140.01 11.96 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.681 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.07 -80.88 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.955 -2.519 . . . . 1.0 110.95 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.1 OUTLIER -155.78 151.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 1.0 109.246 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.601 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 160.37 -60.94 0.3 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.6 m 151.19 68.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 1.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.93 80.92 0.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 176.6 9.71 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 1.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.621 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 4.6 mtp180 -142.82 106.96 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.456 ' CB ' HG23 ' A' ' 35' ' ' THR . 0.4 OUTLIER -103.41 129.48 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.02 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 50' ' ' ALA . . . 112.62 122.86 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.459 1.1 . . . . 1.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -40.29 -28.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 1.0 110.401 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -63.4 -52.97 59.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -69.17 -36.5 77.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.932 HG21 ' CE1' ' A' ' 30' ' ' PHE . 36.3 mt -57.83 -49.81 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.908 ' HG3' HG21 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -62.68 -47.86 81.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 1.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -43.86 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 1.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -69.27 -68.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.0 110.956 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.617 ' O ' HD12 ' A' ' 59' ' ' LEU . 8.4 m-85 -44.19 -26.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.07 -57.62 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -56.57 -18.92 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t -80.13 -62.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -57.83 -17.68 17.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 1.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -23.99 2.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 1.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 63' ' ' LEU . 9.0 tp -87.83 122.44 70.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.785 HD22 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -155.37 -178.85 7.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.785 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -121.26 147.23 45.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.567 HG22 ' HB ' ' A' ' 84' ' ' VAL . 20.9 t -124.62 139.44 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -156.95 149.84 23.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 2.5 mt -85.07 178.49 7.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.489 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER 174.16 -33.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 1.5 tm0? -74.59 -78.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.54 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER 161.81 -173.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 1.0 110.254 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.925 HG22 ' CB ' ' A' ' 80' ' ' PHE . 57.6 t -127.72 148.53 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.512 ' CZ ' ' ND2' ' B' ' 120' ' ' ASN . 1.4 tpp180 -125.13 87.13 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 110.274 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.811 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -85.8 127.2 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.719 HG12 HD23 ' B' ' 115' ' ' LEU . 0.3 OUTLIER 179.92 158.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.68 ' HB2' ' HB ' ' B' ' 40' ' ' VAL . . . 51.17 54.85 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ALA . 40.8 m-20 39.64 30.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 3.1 mt-10 -141.86 128.86 20.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.751 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -100.17 106.64 18.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.919 ' HB2' ' ND1' ' A' ' 100' ' ' HIS . . . -110.77 100.46 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.925 ' CB ' HG22 ' A' ' 71' ' ' VAL . 19.0 p90 -118.15 159.67 22.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 1.0 110.977 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.644 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . . . -123.47 138.26 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 3.0 p90 -140.81 -176.26 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.489 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -120.58 164.28 16.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.0 110.453 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.567 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -145.89 123.22 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.61 112.65 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 95' ' ' VAL . 4.4 p90 -142.44 137.6 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 1.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 1.0 110.254 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.907 ' HB3' ' HB3' ' A' ' 125' ' ' ALA . 17.9 tttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 123' ' ' ALA . 13.0 m -157.52 144.03 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 1.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.482 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.4 p -126.65 113.85 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.106 HG22 HG23 ' A' ' 121' ' ' ILE . 97.7 t -97.34 158.27 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 1.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -129.35 75.73 79.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.58 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.01 169.45 22.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.774 HD13 ' NE ' ' B' ' 72' ' ' ARG . 2.2 mt -136.34 141.98 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -118.46 131.37 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.919 ' ND1' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -120.6 82.86 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 1.0 109.644 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 10.1 m-30 -68.41 147.02 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 1.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.37 102.71 8.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.321 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.737 ' CZ ' HG23 ' A' ' 109' ' ' VAL . 1.3 m-85 -91.26 124.68 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 1.5 m120 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.726 ' O ' HG23 ' A' ' 110' ' ' VAL . 8.9 mttt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.737 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 21.5 t -40.83 116.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 1.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 108' ' ' LYS . 29.9 t -136.38 13.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -174.01 160.74 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 110.026 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.843 ' HG3' HG13 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -166.67 124.82 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -112.21 120.92 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 1.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -99.56 162.25 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.467 ' HG ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -156.17 121.07 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -160.17 173.52 15.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.068 . . . . 1.0 111.044 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.606 ' HA2' HD11 ' A' ' 121' ' ' ILE . . . 80.75 177.84 51.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 1.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.813 ' HB2' HG23 ' B' ' 74' ' ' VAL . 3.2 mt-10 61.79 63.1 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.603 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 96.59 -23.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.429 ' HB2' ' N ' ' A' ' 117' ' ' GLY . 0.2 OUTLIER -69.42 -9.33 53.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 1.106 HG23 HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -98.73 139.45 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 123' ' ' ALA . 88.0 m-70 -135.17 92.98 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 1.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.761 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -49.14 176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' ALA . . . 168.88 172.78 36.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.907 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 1.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.534 0.207 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.62 113.66 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -126.59 155.53 74.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -21.51 15.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 41.0 tp10 -68.18 -47.72 67.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -75.0 -42.53 57.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 1.0 109.632 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.467 ' HA ' ' CZ ' ' B' ' 103' ' ' PHE . 0.1 OUTLIER -61.24 -56.55 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -62.4 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 1.0 110.475 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -54.11 -41.24 68.1 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.417 1.073 . . . . 1.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.17 -51.81 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.65 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 2.5 t -51.56 -43.15 31.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -62.59 -46.35 88.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -40.31 85.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.26 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -63.37 -45.38 91.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.87 -52.49 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.639 ' HB1' ' OD1' ' B' ' 22' ' ' ASP . . . -43.35 -37.98 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.624 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.2 tp -64.65 -51.6 61.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 1.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.36 -49.66 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.44 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.62 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 73.79 47.59 19.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 1.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.639 ' OD1' ' HB1' ' B' ' 17' ' ' ALA . 4.5 p30 -96.67 106.92 19.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 1.0 109.228 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.809 HD12 ' HG3' ' B' ' 52' ' ' ARG . 0.1 OUTLIER -73.64 -58.51 3.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.0 -32.33 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 1.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -72.27 -70.15 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.624 HD11 ' HA ' ' B' ' 18' ' ' LEU . 7.7 mt -45.02 -36.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.766 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.61 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 14.8 t -71.02 -41.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 1.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.59 -10.55 59.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -63.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.61 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 43.1 p90 -90.04 -176.14 4.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -56.53 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.642 ' O ' HG22 ' B' ' 48' ' ' THR . 0.3 OUTLIER -110.23 -14.42 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.401 1.063 . . . . 1.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -115.58 4.49 14.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -51.5 175.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.841 HG22 ' CB ' ' B' ' 46' ' ' SER . 71.7 p -131.79 137.28 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 1.0 110.378 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' B' ' 54' ' ' PHE . 21.2 t -110.89 147.56 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 1.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 3.1 mt-10 -140.52 94.54 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.563 ' CG ' ' HB3' ' B' ' 114' ' ' ALA . 5.3 m-20 -141.88 131.01 12.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.485 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.04 -68.83 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.994 -2.502 . . . . 1.0 110.962 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.68 ' HB ' ' HB2' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -150.48 143.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 1.0 109.349 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.8 26.09 2.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 1.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 22.8 t -106.37 50.28 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 1.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.402 ' HB3' ' NH2' ' B' ' 45' ' ' ARG . 1.0 OUTLIER 53.15 92.82 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 110.276 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.464 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -74.96 143.84 29.69 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 35' ' ' THR . 6.9 mmp_? -97.03 155.15 16.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.841 ' CB ' HG22 ' B' ' 35' ' ' THR . 51.5 p -138.84 104.26 5.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 1.0 110.053 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.51 141.35 4.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.642 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -58.91 -15.52 13.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 1.0 110.38 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.73 -66.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.91 -26.3 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.708 HG12 HG23 ' B' ' 36' ' ' VAL . 10.8 mt -72.19 -42.18 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 1.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.809 ' HG3' HD12 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -64.06 -46.24 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.83 -38.26 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.974 ' CE2' HG11 ' B' ' 36' ' ' VAL . 4.5 t80 -66.24 -49.78 66.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.508 ' CE2' HG23 ' B' ' 51' ' ' ILE . 3.9 m-85 -59.33 -59.37 5.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -51.0 -52.21 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' B' ' 60' ' ' LYS . 25.9 t-20 -54.05 -37.2 63.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -65.44 -59.76 3.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.949 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.62 HD22 ' HA2' ' B' ' 21' ' ' GLY . 1.2 mt -57.09 -18.69 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 3.6 ttpp -44.77 -26.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.724 HD23 HD23 ' B' ' 63' ' ' LEU . 11.3 tp -87.3 127.78 57.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 1.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 60.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 1.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.724 HD23 HD23 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -107.35 -176.68 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 84' ' ' VAL . . . -137.22 159.22 42.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.677 HG13 ' CD2' ' B' ' 82' ' ' PHE . 53.8 t -133.2 147.04 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -157.9 130.95 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.658 HD11 ' HD2' ' B' ' 80' ' ' PHE . 1.7 mm? -71.1 131.71 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.4 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 2.8 t -142.76 14.95 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.66 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -140.15 -172.3 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.49 171.82 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.937 HG22 ' CB ' ' B' ' 80' ' ' PHE . 58.3 t -127.24 109.04 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 1.007 ' NH2' HG21 ' B' ' 98' ' ' ILE . 9.9 mtm180 -69.43 59.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' B' ' 77' ' ' GLU . . . -83.14 91.05 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 1.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -160.6 152.97 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 55.0 58.81 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 1.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' B' ' 76' ' ' ASN . 0.3 OUTLIER 44.33 25.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 1.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' B' ' 73' ' ' ALA . 1.5 tt0 -122.84 159.16 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.524 ' HB1' HG21 ' B' ' 11' ' ' VAL . . . -146.85 87.72 1.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.818 ' HB3' ' HB2' ' B' ' 72' ' ' ARG . . . -105.38 85.85 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.937 ' CB ' HG22 ' B' ' 71' ' ' VAL . 42.4 p90 -105.02 157.87 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.66 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -109.04 136.58 48.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.677 ' CD2' HG13 ' B' ' 65' ' ' VAL . 45.8 p90 -142.11 165.32 27.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.4 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.1 OUTLIER -104.76 156.56 17.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 110.431 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.52 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.6 OUTLIER -134.43 125.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.246 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.9 m -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' B' ' 95' ' ' VAL . 0.5 OUTLIER -161.49 146.97 13.76 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 1.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.671 ' CD ' ' HB1' ' B' ' 123' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.282 -0.266 . . . . 1.0 110.282 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.537 ' HG3' ' HB3' ' B' ' 125' ' ' ALA . 15.5 mttp -80.05 156.21 27.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 27.0 m -157.13 149.15 22.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.406 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -129.47 119.14 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.686 HG22 HG12 ' B' ' 121' ' ' ILE . 40.8 t -99.48 166.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.887 ' HB3' ' OD1' ' B' ' 120' ' ' ASN . . . -140.15 70.66 34.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.567 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 166.69 28.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.787 . . . . 1.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 1.007 HG21 ' NH2' ' B' ' 72' ' ' ARG . 17.2 mt -116.12 115.55 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.669 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.5 m-20 -85.38 119.18 25.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -119.43 109.35 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.617 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 101' ' ' PHE . 6.2 m-30 -116.05 132.22 56.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 1.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -110.98 103.92 12.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.92 ' CB ' HG22 ' B' ' 109' ' ' VAL . 2.6 p90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 1.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' B' ' 103' ' ' PHE . 15.3 mttp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.92 HG22 ' CB ' ' B' ' 103' ' ' PHE . 2.6 t -112.81 117.04 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.546 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 95.7 t -122.12 -5.07 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -134.14 137.67 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 1.0 109.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.599 ' HE2' ' CD1' ' B' ' 30' ' ' PHE . 1.6 mtt -151.16 136.03 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -146.67 170.36 17.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.563 ' HB3' ' CG ' ' B' ' 38' ' ' ASP . . . -148.32 97.11 2.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.719 HD23 HG12 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -72.98 97.03 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 1.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' B' ' 117' ' ' GLY . 0.9 OUTLIER -116.63 114.37 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' A' ' 74' ' ' VAL . . . -99.32 173.26 26.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' B' ' 118' ' ' GLU . 7.0 tt0 -97.63 23.13 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 1.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . 0.412 ' C ' ' NH1' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -123.33 15.78 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.887 ' OD1' ' HB3' ' B' ' 96' ' ' ALA . 3.3 t-20 -130.5 43.08 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.686 HG12 HG22 ' B' ' 95' ' ' VAL . 4.5 mt -129.49 140.66 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.42 ' HB2' HG12 ' B' ' 94' ' ' VAL . 5.5 m-70 -135.34 111.68 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.671 ' HB1' ' CD ' ' B' ' 91' ' ' ARG . . . -83.72 168.03 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.1 173.31 38.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.537 ' HB3' ' HG3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 1.0 109.318 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 m120 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.3 p -100.17 155.57 36.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 110.308 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 18.4 Cg_endo -75.01 -36.26 2.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 1.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.65 -44.42 96.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.955 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.1 t60 -68.83 -47.75 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 1.0 109.591 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.574 ' CB ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.33 -53.8 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -57.5 -47.32 82.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.435 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 6' ' ' HIS . 93.5 t -64.39 -42.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.768 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.0 t -57.94 -54.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.263 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -52.47 -44.89 65.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 1.0 110.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.12 98.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.68 -44.6 93.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' VAL . 95.5 t -61.05 -62.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.49 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 1.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.676 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -59.82 -32.31 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 1.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.93 -55.63 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -19.32 63.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.5 -15.48 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.89 39.31 97.35 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.56 1.163 . . . . 1.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.635 ' O ' HD12 ' A' ' 26' ' ' ILE . 10.1 m-20 -95.22 90.57 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 1.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 27' ' ' VAL . 15.2 mt -68.97 -43.58 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.29 -52.87 63.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.67 -61.54 6.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.71 HG22 ' HE2' ' A' ' 30' ' ' PHE . 36.3 mt -44.77 -36.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 23' ' ' LEU . 4.8 t -68.92 -43.14 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -69.65 -14.41 62.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 1.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.64 -67.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 1.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' HE2' HG22 ' A' ' 26' ' ' ILE . 24.1 p90 -87.38 -175.6 5.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 1.183 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -52.17 -176.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 1.016 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -106.42 -19.62 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 p30 -121.35 22.34 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -60.74 168.08 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.542 HG22 ' CB ' ' A' ' 46' ' ' SER . 69.6 p -119.35 110.23 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 1.0 110.446 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.656 HG23 ' CD1' ' A' ' 51' ' ' ILE . 48.9 t -89.68 139.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -137.92 66.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 1.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.919 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -136.79 131.92 18.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 1.0 109.343 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.618 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.98 -83.21 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.019 -2.492 . . . . 1.0 111.028 -0.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.1 OUTLIER -153.36 -173.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 1.0 109.377 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.47 29.92 1.99 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.2 p 47.68 54.31 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 1.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -144.15 62.91 10.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 1.0 110.236 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.98 161.72 38.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 1.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.591 ' HB2' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -142.54 134.1 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.542 ' CB ' HG22 ' A' ' 35' ' ' THR . 10.2 p -117.42 142.42 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.037 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.52 141.29 10.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 1.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.016 HG23 ' O ' ' A' ' 32' ' ' ASP . 4.1 p -58.25 -16.31 13.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 1.0 110.409 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.87 -67.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 1.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 45' ' ' ARG . . . -61.63 -25.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.656 ' CD1' HG23 ' A' ' 36' ' ' VAL . 3.7 mt -69.57 -68.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.511 ' HG3' HD22 ' A' ' 23' ' ' LEU . 24.3 ttp85 -55.67 -32.63 63.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.68 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 38' ' ' ASP . 5.2 t80 -56.07 -53.6 55.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.521 ' HE2' HG21 ' A' ' 36' ' ' VAL . 3.3 m-85 -48.7 -40.8 29.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 1.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.69 31.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -46.59 -40.49 12.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 1.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -52.18 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.452 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -54.67 -19.68 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -41.02 -29.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 109.355 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.538 ' O ' HD12 ' A' ' 63' ' ' LEU . 10.0 tp -92.09 112.43 54.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 1.0 109.368 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 53.65 3.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 1.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.813 HD22 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -90.06 -177.12 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.353 1.033 . . . . 1.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.813 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -119.82 146.75 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.672 HG22 ' HB ' ' A' ' 84' ' ' VAL . 42.5 t -131.8 139.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -153.92 158.7 41.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.28 158.22 21.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 1.0 109.243 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 15.2 t -174.95 34.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.552 1.158 . . . . 1.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.578 ' NE2' ' HB3' ' A' ' 81' ' ' ALA . 1.3 tm0? -149.7 -75.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.537 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.5 OUTLIER 162.41 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 1.0 110.305 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.899 HG22 ' CB ' ' A' ' 80' ' ' PHE . 87.4 t -134.67 135.25 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.552 ' CZ ' ' ND2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -113.22 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.574 ' HB1' ' CB ' ' A' ' 7' ' ' MET . . . -89.58 109.16 20.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.697 ' CG1' HG21 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -163.25 161.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 1.0 109.365 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB2' ' HB ' ' B' ' 40' ' ' VAL . . . 57.49 50.56 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.2 OUTLIER 42.63 28.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 75' ' ' ALA . 6.9 pt-20 -145.11 142.35 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.639 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -104.63 122.26 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.731 ' HB3' HD22 ' B' ' 115' ' ' LEU . . . -127.92 103.23 7.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.899 ' CB ' HG22 ' A' ' 71' ' ' VAL . 29.8 p90 -122.36 173.44 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.826 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -133.65 137.84 45.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 6.4 p90 -144.17 -179.07 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 1.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.96 167.77 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 1.0 110.413 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.672 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -146.55 123.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.73 125.15 45.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 1.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.935 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.8 p90 -146.93 123.6 11.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.319 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 125' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.55 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 38.8 m -118.5 142.44 47.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 110.362 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 84' ' ' VAL . 1.0 OUTLIER -126.4 117.84 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.031 HG22 HG23 ' A' ' 121' ' ' ILE . 90.7 t -100.42 163.63 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 1.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.471 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -133.26 76.84 67.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.07 156.88 42.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.435 1.755 . . . . 1.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.902 HG21 ' NH2' ' B' ' 72' ' ' ARG . 6.5 mt -119.66 120.97 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.657 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -95.09 139.97 30.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 1.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.544 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -156.25 106.54 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 1.1 p90 -134.48 154.07 51.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.443 ' HG2' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -118.01 139.89 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.719 ' HB3' HG22 ' A' ' 109' ' ' VAL . 3.6 p90 -149.35 164.07 35.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 1.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 109.22 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.719 HG22 ' HB3' ' A' ' 103' ' ' PHE . 2.0 t -86.52 123.02 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.482 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 57.4 t -118.52 -0.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.98 127.37 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.699 ' HE2' ' CG ' ' A' ' 30' ' ' PHE . 1.6 mtt -143.2 138.66 29.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 2.1 ptm180 -144.39 140.63 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.919 ' HB3' ' HB3' ' A' ' 38' ' ' ASP . . . -139.92 136.22 33.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.694 HD22 HH11 ' B' ' 72' ' ' ARG . 6.2 mp -120.59 133.88 55.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.684 ' O ' HG21 ' B' ' 74' ' ' VAL . 0.5 OUTLIER -147.77 177.97 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.563 ' HA2' HD11 ' A' ' 121' ' ' ILE . . . 68.63 -177.61 26.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.635 ' HB2' HG23 ' B' ' 74' ' ' VAL . 0.3 OUTLIER 65.55 64.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 1.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 89.48 -17.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 1.0 109.266 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.414 ' HB2' ' N ' ' A' ' 117' ' ' GLY . 2.7 m-80 -73.85 -11.99 60.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 1.031 HG23 HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -94.82 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -134.44 89.98 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 1.0 109.564 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.426 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -64.64 159.44 21.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . 179.71 179.22 48.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.498 0.763 . . . . 1.0 109.211 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.54 0.21 . . . . 1.0 111.075 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' B' ' 76' ' ' ASN . 22.7 m-20 -139.19 60.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.4 p -96.25 155.36 38.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 1.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.89 3.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -66.03 -41.74 90.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 110.185 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.458 ' O ' HG23 ' B' ' 10' ' ' VAL . 3.6 t-160 -71.59 -44.38 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 109.575 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.586 ' HE3' ' HB1' ' B' ' 73' ' ' ALA . 34.3 mtm -59.37 -58.97 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -58.37 -49.82 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -52.73 -45.02 66.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.635 HG13 HD21 ' B' ' 29' ' ' LEU . 3.1 t -57.86 -47.14 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.735 HG22 ' CD2' ' B' ' 101' ' ' PHE . 18.9 t -55.63 -38.9 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -62.92 -60.34 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ttp-105 -52.52 -34.16 48.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -67.86 -56.37 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.71 -46.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 1.0 109.279 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.97 -60.32 3.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.493 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -50.29 -28.38 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 1.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.76 ' HA ' HD11 ' B' ' 26' ' ' ILE . 14.4 tp -71.58 -57.94 3.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 1.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.86 -17.22 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 1.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.72 -29.38 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.509 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 76.55 55.3 4.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 1.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.448 ' N ' ' OD2' ' B' ' 22' ' ' ASP . 0.9 OUTLIER -112.65 66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 0.763 . . . . 1.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.505 ' O ' HG23 ' B' ' 27' ' ' VAL . 10.6 mt -43.85 -38.17 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -60.24 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.189 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.12 -59.63 10.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.76 HD11 ' HA ' ' B' ' 18' ' ' LEU . 48.9 mt -42.14 -37.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.452 0.736 . . . . 1.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.579 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.0 t -68.62 -49.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -62.03 -14.59 37.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 1.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.635 HD21 HG13 ' B' ' 10' ' ' VAL . 0.6 OUTLIER -59.78 -54.01 51.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 1.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' B' ' 51' ' ' ILE . 24.7 p90 -102.11 -178.82 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -51.95 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.982 ' O ' HG23 ' B' ' 48' ' ' THR . 3.4 t70 -103.03 -17.68 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 1.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.92 21.31 11.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.65 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -63.93 -178.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 1.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.637 HG22 ' HB2' ' B' ' 46' ' ' SER . 28.5 p -134.38 117.49 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 1.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.62 HG23 HG12 ' B' ' 51' ' ' ILE . 98.4 t -93.11 145.28 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 1.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 4.1 mp0 -128.07 65.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.596 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 0.2 OUTLIER -110.17 138.86 20.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 1.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.811 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.5 Cg_endo -74.99 -38.81 1.64 Allowed 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.996 -2.501 . . . . 1.0 111.019 -0.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.775 HG12 ' H ' ' B' ' 41' ' ' GLY . 2.2 t -128.36 -174.77 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.775 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -54.39 -18.11 9.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.447 1.092 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 7.2 t -82.19 50.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.4 mt-10 160.51 70.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.444 ' O ' ' NE ' ' B' ' 45' ' ' ARG . 18.6 Cg_endo -75.05 154.64 42.41 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.472 1.774 . . . . 1.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.894 ' HG3' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -151.86 96.57 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.637 ' HB2' HG22 ' B' ' 35' ' ' THR . 16.9 p -96.6 139.4 32.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 1.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.7 146.58 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 1.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.982 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.9 p -60.13 -14.61 17.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 1.0 110.401 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.71 -66.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.894 ' HB1' ' HG3' ' B' ' 45' ' ' ARG . . . -62.66 -32.25 73.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.669 HG21 ' CE1' ' B' ' 30' ' ' PHE . 25.1 mt -63.94 -66.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -56.85 -30.55 63.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 1.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.0 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 1.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 1.8 t80 -60.39 -54.68 42.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 1.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.463 ' OH ' ' CE ' ' B' ' 112' ' ' MET . 0.2 OUTLIER -46.83 -39.66 12.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 1.0 110.982 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -50.57 57.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.29 -19.02 53.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -81.43 -69.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.753 HD11 HD12 ' B' ' 18' ' ' LEU . 0.6 OUTLIER -56.03 -18.88 10.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 1.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.446 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.8 tp -91.44 135.74 27.66 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 1.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.446 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.06 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 1.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.6 178.32 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 1.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.83 104.4 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.8 HG13 ' CD2' ' B' ' 82' ' ' PHE . 4.1 t -84.29 142.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 1.0 109.197 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -159.98 138.08 10.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 1.0 110.339 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.547 HD23 ' O ' ' B' ' 81' ' ' ALA . 1.1 mt -75.11 141.11 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.464 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 2.2 t -155.99 23.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.484 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 6.5 mt-30 -134.39 -78.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.47 170.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.893 HG22 ' CB ' ' B' ' 80' ' ' PHE . 89.3 t -119.1 136.53 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.902 ' NH2' HG21 ' A' ' 98' ' ' ILE . 6.8 ttm180 -111.2 92.52 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.889 ' O ' HG23 ' B' ' 74' ' ' VAL . . . -93.74 127.82 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 109.374 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 73' ' ' ALA . 2.1 t -170.54 146.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.303 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.549 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 49.05 67.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 76' ' ' ASN . 3.2 p-10 38.78 30.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.567 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 2.4 tt0 -125.6 160.23 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -148.52 100.64 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.885 ' HB2' ' CE1' ' B' ' 100' ' ' HIS . . . -113.8 101.74 9.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.893 ' CB ' HG22 ' B' ' 71' ' ' VAL . 49.7 p90 -112.9 162.27 16.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 1.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.547 ' O ' HD23 ' B' ' 67' ' ' LEU . . . -117.24 130.95 56.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.8 ' CD2' HG13 ' B' ' 65' ' ' VAL . 46.8 p90 -138.53 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 1.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.464 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -106.18 164.52 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 1.0 110.44 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.499 HG13 ' CD ' ' B' ' 97' ' ' PRO . 0.7 OUTLIER -140.09 116.83 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 4.9 m -91.04 124.91 35.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 110.077 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.1 OUTLIER -167.69 146.01 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 111.021 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 110.31 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.305 -0.258 . . . . 1.0 110.305 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.402 ' C ' ' OG1' ' B' ' 93' ' ' THR . 0.0 OUTLIER -76.38 156.76 32.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 1.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.627 HG22 HG23 ' B' ' 121' ' ' ILE . 14.2 m -157.26 151.41 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 1.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.5 OUTLIER -136.22 122.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 1.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.738 HG22 HG13 ' B' ' 121' ' ' ILE . 31.5 t -102.95 165.82 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 1.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.497 ' HB3' ' OD1' ' B' ' 120' ' ' ASN . . . -137.19 68.47 55.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.535 ' HB3' ' CG ' ' B' ' 116' ' ' PHE . 18.4 Cg_endo -74.97 169.66 22.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.461 HG23 ' O ' ' B' ' 80' ' ' PHE . 37.8 mt -121.42 122.9 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -96.24 143.01 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.885 ' CE1' ' HB2' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -132.77 128.3 36.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.604 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.735 ' CD2' HG22 ' B' ' 11' ' ' VAL . 20.6 m-85 -117.38 144.79 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 1.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.793 ' HD3' HH21 ' B' ' 113' ' ' ARG . 5.8 mtp180 -127.9 116.08 19.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' B' ' 109' ' ' VAL . 23.0 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 1.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.447 HG22 ' CD2' ' B' ' 103' ' ' PHE . 39.3 t -81.35 116.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 1.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' B' ' 31' ' ' ALA . 64.5 t -117.49 -7.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 1.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.1 134.88 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.478 ' HG2' HG13 ' B' ' 36' ' ' VAL . 5.3 ttp -146.77 142.4 27.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 1.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.793 HH21 ' HD3' ' B' ' 102' ' ' ARG . 2.8 mtt180 -155.1 162.92 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.811 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -136.09 179.88 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -152.92 99.28 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.364 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.535 ' CG ' ' HB3' ' B' ' 97' ' ' PRO . 6.3 m-85 -106.68 130.03 54.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.585 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -110.27 177.19 19.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 1.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -105.81 -14.56 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 1.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -99.47 17.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.767 ' C ' HD12 ' B' ' 121' ' ' ILE . 2.2 t-20 -123.35 39.14 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.767 HD12 ' C ' ' B' ' 120' ' ' ASN . 3.7 mp -130.29 153.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.495 ' HB2' HG12 ' B' ' 94' ' ' VAL . 5.0 m-70 -142.46 111.82 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.619 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.53 164.7 17.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 1.0 109.389 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.39 42.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 1.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 1.0 109.318 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.322 -0.622 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -124.12 155.52 67.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 1.0 110.336 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -32.0 5.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 1.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.24 -53.55 42.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.199 . . . . 1.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -65.27 -41.41 94.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.734 ' O ' HG23 ' A' ' 11' ' ' VAL . 8.3 mtm -57.95 -57.98 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -54.92 -42.11 71.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.89 95.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -65.9 -30.14 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.815 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 98.9 t -67.4 -44.63 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -46.51 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.78 90.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.0 110.252 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.612 ' HA ' HD13 ' A' ' 29' ' ' LEU . 29.5 t80 -60.7 -54.07 49.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 1.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.16 -56.38 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.61 -47.25 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.416 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -60.83 -41.69 96.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 1.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' HA ' HD11 ' A' ' 26' ' ' ILE . 58.5 tp -58.07 -53.88 53.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -60.99 -27.85 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -15.23 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 69.52 27.88 72.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 1.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.551 ' O ' HD12 ' A' ' 26' ' ' ILE . 13.6 t0 -84.21 85.55 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -62.96 -37.02 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -61.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -43.18 26.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.599 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 52.2 mt -65.93 -44.63 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.606 0.827 . . . . 1.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 23' ' ' LEU . 15.6 t -63.78 -20.35 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.44 -24.9 18.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -53.69 -42.07 67.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 1.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 3.7 p90 -114.57 178.23 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 1.0 111.062 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -45.48 169.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 1.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 1.026 ' O ' HG23 ' A' ' 48' ' ' THR . 1.4 m-20 -96.16 -17.11 21.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -120.17 32.22 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -80.51 175.67 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.768 HG22 ' CB ' ' A' ' 46' ' ' SER . 9.6 p -130.92 136.5 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 1.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.814 HG21 HG23 ' A' ' 51' ' ' ILE . 13.6 t -113.2 141.98 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -127.3 94.49 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -141.26 121.72 8.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 1.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.492 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -75.04 -80.01 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.948 -2.522 . . . . 1.0 110.998 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.95 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.2 OUTLIER -152.49 151.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . -168.61 -73.5 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.7 p 156.64 51.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 0.75 . . . . 1.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 42' ' ' SER . 0.1 OUTLIER 164.62 88.16 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 1.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.0 148.76 35.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 1.0 111.053 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.922 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -74.03 113.44 11.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 110.343 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.768 ' CB ' HG22 ' A' ' 35' ' ' THR . 78.3 p -99.4 141.92 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 1.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 123.85 5.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.437 1.085 . . . . 1.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.026 HG23 ' O ' ' A' ' 32' ' ' ASP . 7.7 p -41.37 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 1.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -55.62 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.922 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -63.85 -49.03 74.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.814 HG23 HG21 ' A' ' 36' ' ' VAL . 8.8 mt -51.22 -52.4 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 1.9 tmm_? -63.66 -34.98 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 1.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -50.17 69.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 1.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE1' ' HD2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -69.59 -61.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 111.029 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.748 ' HE1' HG11 ' A' ' 36' ' ' VAL . 11.2 m-85 -49.66 -22.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.684 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -80.85 -67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -50.65 -22.95 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 1.0 109.252 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m -80.0 -56.61 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.5 mt -55.99 -19.78 13.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -52.21 -22.01 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.6 139.86 21.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.52 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 1.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.942 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -94.38 132.59 38.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 1.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.771 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -109.06 103.85 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.68 HG23 HD11 ' A' ' 63' ' ' LEU . 2.2 t -94.0 147.13 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.74 137.63 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 81' ' ' ALA . 1.6 mt -67.57 156.33 37.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 1.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.501 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.2 t 179.68 51.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.418 HE21 ' CB ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -156.19 -85.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 1.0 110.327 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.446 ' CD ' ' NH1' ' A' ' 72' ' ' ARG . 3.2 pt-20 -171.1 168.03 6.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.491 1.12 . . . . 1.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.915 HG22 ' CB ' ' A' ' 80' ' ' PHE . 98.1 t -131.31 122.13 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.661 ' HD3' HD12 ' B' ' 98' ' ' ILE . 8.6 mpt_? -99.06 103.0 14.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.96 120.57 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 HG21 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -178.71 156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . 54.84 55.95 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER 39.05 30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.353 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' ALA . 4.9 mt-10 -138.7 123.91 19.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 1.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.699 ' HB2' ' SD ' ' A' ' 7' ' ' MET . . . -106.81 130.42 54.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.865 ' O ' HG13 ' A' ' 71' ' ' VAL . . . -124.25 165.97 16.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 1.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.915 ' CB ' HG22 ' A' ' 71' ' ' VAL . 11.6 p90 -174.52 150.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.752 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -107.16 119.52 39.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.186 . . . . 1.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.588 ' CD2' HG13 ' A' ' 65' ' ' VAL . 49.2 p90 -122.73 165.85 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -105.99 159.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.57 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -134.67 115.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.61 112.27 24.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 1.0 110.035 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.446 ' HE1' HG23 ' A' ' 95' ' ' VAL . 1.6 p90 -152.95 149.45 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 1.0 110.238 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.401 ' C ' ' OG1' ' A' ' 93' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.493 HG23 ' HA ' ' A' ' 123' ' ' ALA . 10.1 m -156.94 144.84 19.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -127.81 114.86 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 121' ' ' ILE . 16.3 t -97.22 167.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.462 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -139.84 66.52 33.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.824 ' HA ' HH21 ' B' ' 72' ' ' ARG . 18.2 Cg_endo -75.07 163.82 34.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.547 1.814 . . . . 1.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.71 HG22 ' CE1' ' A' ' 100' ' ' HIS . 15.9 mt -112.04 148.67 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 4.8 m-20 -128.02 141.45 51.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.743 ' CE1' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -150.94 133.09 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.815 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -140.1 156.88 46.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 59.2 ttt180 -108.58 159.66 16.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 1.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 13.2 m-85 -125.75 152.04 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 23.7 t -75.55 120.94 26.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.561 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 74.1 t -118.82 -4.18 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 1.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.01 139.63 21.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 1.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.76 ' HG3' HG13 ' A' ' 36' ' ' VAL . 24.0 ptp -154.16 151.09 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -142.82 172.44 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . . . -147.07 107.32 4.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.796 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.6 OUTLIER -81.37 91.15 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.536 ' CE1' HG11 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -109.14 88.86 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 1.0 110.942 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.29 -170.87 37.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 121' ' ' ILE . 1.7 mp0 -116.9 44.48 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 1.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.45 ' HZ2' ' HB3' ' B' ' 73' ' ' ALA . 4.6 ptmt -141.57 15.07 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.492 ' HB2' ' CZ ' ' B' ' 72' ' ' ARG . 0.9 OUTLIER -131.61 40.91 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.637 HG23 HG22 ' A' ' 95' ' ' VAL . 2.2 mt -119.66 140.2 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 1.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -134.65 98.89 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 1.0 109.607 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -61.49 175.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 1.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.55 173.69 37.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 1.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 109.315 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.19 . . . . 1.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 175.42 124.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 1.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.795 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.7 OUTLIER -139.29 150.38 64.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 1.0 110.395 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.55 ' HB3' ' HB3' ' B' ' 73' ' ' ALA . 18.1 Cg_endo -75.07 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -46.55 86.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 1.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.795 ' HB2' HG23 ' B' ' 3' ' ' THR . 11.8 m170 -70.19 -48.65 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 1.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.526 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -50.9 -49.26 59.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -63.01 -51.34 67.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.82 -40.03 59.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 1.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' B' ' 29' ' ' LEU . 3.2 t -66.35 -40.17 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.845 ' O ' HG23 ' B' ' 15' ' ' VAL . 3.4 t -59.49 -46.69 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -55.67 31.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -55.94 -39.91 72.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' B' ' 29' ' ' LEU . 39.2 t80 -64.03 -45.44 88.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 1.132 HG21 ' CE2' ' B' ' 82' ' ' PHE . 60.7 t -63.23 -66.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.41 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.268 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.74 78.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.599 ' HA ' HD11 ' B' ' 26' ' ' ILE . 45.3 tp -53.31 -54.15 40.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -60.58 -30.76 70.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 1.0 109.219 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.79 -16.68 61.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 1.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 74.43 29.27 62.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.61 1.194 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.614 ' O ' HD12 ' B' ' 26' ' ' ILE . 15.5 t0 -88.24 82.24 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.772 ' O ' HG23 ' B' ' 27' ' ' VAL . 1.1 mt -61.78 -51.39 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 1.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -59.31 -62.04 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.72 -42.55 21.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 1.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.614 HD12 ' O ' ' B' ' 22' ' ' ASP . 38.2 mt -63.65 -41.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 0.702 . . . . 1.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.772 HG23 ' O ' ' B' ' 23' ' ' LEU . 79.6 t -65.09 -26.11 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.76 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -55.89 -44.2 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.4 p90 -113.28 -175.21 2.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 1.0 110.968 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.647 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -44.15 166.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.697 ' O ' HG23 ' B' ' 48' ' ' THR . 44.0 m-20 -89.33 -19.39 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 1.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -121.91 15.32 10.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.796 ' HA ' HG13 ' B' ' 110' ' ' VAL . . . -42.43 163.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.2 p -125.97 109.7 12.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.702 HG23 HG12 ' B' ' 51' ' ' ILE . 18.5 t -88.0 157.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 3.0 mt-10 -154.26 76.3 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -138.63 152.64 71.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.617 1.198 . . . . 1.0 109.299 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.63 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.047 -2.481 . . . . 1.0 110.983 0.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.817 HG21 HG11 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -164.2 -176.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.91 28.65 30.95 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.497 1.123 . . . . 1.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 99.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 0.721 . . . . 1.0 109.984 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.417 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 0.6 OUTLIER -161.18 63.57 1.76 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 153.65 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.779 . . . . 1.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' B' ' 54' ' ' PHE . 3.0 ptt180 -154.25 98.93 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -95.57 134.01 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 142.36 11.33 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.521 1.138 . . . . 1.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.697 HG23 ' O ' ' B' ' 32' ' ' ASP . 40.1 p -56.47 -17.28 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -69.7 -57.69 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' B' ' 45' ' ' ARG . . . -66.43 -38.11 86.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.702 HG12 HG23 ' B' ' 36' ' ' VAL . 59.1 mt -63.18 -65.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -38.17 64.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 1.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 3.8 mm-40 -55.29 -56.12 23.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 1.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.634 ' CG ' ' CZ ' ' B' ' 45' ' ' ARG . 7.6 t80 -67.25 -60.05 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.504 ' O ' HD12 ' B' ' 59' ' ' LEU . 9.7 m-85 -44.16 -30.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.38 -52.41 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -53.15 -29.7 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 -55.22 5.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.504 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.4 OUTLIER -55.15 -19.4 7.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 1.0 109.359 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.74 -28.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.974 HD11 ' O ' ' B' ' 87' ' ' GLU . 12.2 tp -105.4 138.83 19.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.457 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.99 54.73 3.73 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.6 1.842 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -79.1 -176.53 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 84' ' ' VAL . . . -143.03 156.38 44.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.458 1.099 . . . . 1.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -141.6 140.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -161.35 137.86 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.772 ' CD1' ' CZ ' ' B' ' 82' ' ' PHE . 0.8 OUTLIER -71.2 167.62 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.595 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.4 OUTLIER -165.45 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 1.0 110.365 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 3.9 mp0 -77.24 -84.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.453 ' CD ' ' ND2' ' A' ' 120' ' ' ASN . 0.1 OUTLIER 176.48 -177.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 110.296 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' B' ' 80' ' ' PHE . 21.8 t -129.03 123.93 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.824 HH21 ' HA ' ' A' ' 97' ' ' PRO . 3.7 mmt180 -102.24 95.47 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' B' ' 4' ' ' PRO . . . -95.38 121.1 36.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 0.4 OUTLIER -177.33 167.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.95 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 51.51 45.77 27.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.32 37.96 12.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.796 ' OE2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -147.52 169.53 19.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.499 ' O ' ' CE1' ' B' ' 80' ' ' PHE . . . -141.79 105.7 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.45 103.95 13.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' B' ' 71' ' ' VAL . 0.1 OUTLIER -116.54 163.56 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -118.54 108.95 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 1.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 1.132 ' CE2' HG21 ' B' ' 15' ' ' VAL . 18.3 m-85 -107.88 168.68 9.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.595 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -120.67 121.76 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 1.0 110.361 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.694 ' CG2' ' CE1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -99.35 167.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' B' ' 93' ' ' THR . 2.4 t -152.03 110.94 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.694 ' CE1' ' CG2' ' B' ' 84' ' ' VAL . 7.3 m-30 -101.35 172.86 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.107 . . . . 1.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.974 ' O ' HD11 ' B' ' 61' ' ' LEU . 22.2 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 110.247 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.26 -0.274 . . . . 1.0 110.26 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' B' ' 125' ' ' ALA . 8.4 pttm -131.42 121.89 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' B' ' 123' ' ' ALA . 1.2 m -124.02 155.45 38.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 1.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 84' ' ' VAL . 0.3 OUTLIER -141.04 126.5 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 1.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.722 HG13 HG13 ' B' ' 121' ' ' ILE . 13.4 t -113.22 170.12 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.66 63.66 21.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.538 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.6 Cg_endo -74.93 167.56 26.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 1.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.661 HD12 ' HD3' ' A' ' 72' ' ' ARG . 1.9 mt -118.99 125.21 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 1.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.651 ' CB ' ' CE2' ' B' ' 80' ' ' PHE . 11.8 m-20 -95.92 125.04 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.604 ' CD2' ' OE1' ' B' ' 77' ' ' GLU . 1.9 t-80 -116.48 99.43 7.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.565 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.406 ' CD2' ' HZ ' ' B' ' 80' ' ' PHE . 10.6 m-30 -89.75 165.57 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 1.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.92 120.76 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.94 ' CE2' HG22 ' B' ' 109' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.94 HG22 ' CE2' ' B' ' 103' ' ' PHE . 12.9 t -90.44 120.54 39.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.796 HG13 ' HA ' ' B' ' 34' ' ' ALA . 91.4 t -120.59 -75.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 134.83 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 1.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.45 ' O ' ' N ' ' B' ' 37' ' ' GLU . 0.6 OUTLIER -160.69 132.94 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -140.34 174.97 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 1.0 110.339 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . . . -132.9 170.27 15.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.514 ' CD2' HG12 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -147.52 105.28 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.504 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 5.9 m-85 -100.67 -175.96 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.48 ' O ' HD12 ' B' ' 121' ' ' ILE . . . -168.13 174.72 43.0 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 1.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -27.28 17.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 0.701 . . . . 1.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.7 15.67 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' B' ' 95' ' ' VAL . 24.0 m120 -124.61 10.93 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.722 HG13 HG13 ' B' ' 95' ' ' VAL . 16.1 mt -117.66 139.41 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -136.83 98.75 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 1.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.479 ' CB ' ' OG1' ' B' ' 93' ' ' THR . . . -96.75 145.88 25.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.389 1.056 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.47 179.19 43.39 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 1.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.578 ' HB3' ' HG2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.571 0.806 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.454 ' ND2' ' CD2' ' A' ' 103' ' ' PHE . 10.2 t-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.747 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.4 OUTLIER -140.69 156.15 69.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.419 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.474 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.1 Cg_endo -75.0 -40.61 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 1.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -63.39 -28.36 69.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.747 ' HB2' HG23 ' A' ' 3' ' ' THR . 10.6 t-160 -77.82 -66.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.629 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.779 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 1.0 OUTLIER -51.04 -41.07 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 73' ' ' ALA . 75.4 m -69.45 -45.02 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -59.04 -36.72 75.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 29' ' ' LEU . 25.5 t -69.53 -39.78 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.77 HG21 ' CE1' ' A' ' 80' ' ' PHE . 3.1 t -58.47 -42.36 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 1.0 109.275 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 1.0 110.33 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.13 -32.66 10.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' OH ' ' CE1' ' A' ' 55' ' ' TYR . 18.8 t80 -63.89 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 1.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.021 HG21 ' CZ ' ' A' ' 82' ' ' PHE . 2.7 t -45.85 -45.3 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.8 78.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.894 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -62.35 -33.61 75.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HA ' HD11 ' A' ' 26' ' ' ILE . 14.4 tp -65.14 -53.12 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.574 HD21 ' HB1' ' A' ' 64' ' ' ALA . 13.4 t-20 -58.43 -32.51 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.2 66.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 83.91 40.78 8.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.894 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 7.0 p30 -107.72 75.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 1.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 6.6 mt -55.52 -19.28 9.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 1.0 109.345 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -67.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 1.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -28.72 33.01 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.718 HG22 ' HE1' ' A' ' 30' ' ' PHE . 16.2 mt -76.59 -49.36 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.736 HG13 ' CG2' ' A' ' 48' ' ' THR . 11.0 t -65.68 -15.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.72 -25.22 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 10' ' ' VAL . 1.4 mt -58.63 -62.16 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 1.0 109.256 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.718 ' HE1' HG22 ' A' ' 26' ' ' ILE . 50.3 p90 -89.31 -177.87 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.598 1.186 . . . . 1.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -55.87 -178.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -112.54 -15.64 13.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.62 17.77 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 1.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -67.5 176.11 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' CB ' ' A' ' 46' ' ' SER . 30.3 p -136.61 128.84 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.75 HG23 HG12 ' A' ' 51' ' ' ILE . 38.4 t -99.85 153.43 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 112' ' ' MET . 4.5 mm-40 -141.65 72.43 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 1.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.537 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -137.12 146.18 53.4 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 1.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.662 ' C ' HG22 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.05 -66.5 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 -2.521 . . . . 1.0 111.039 -0.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -166.3 -174.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 1.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.64 43.67 66.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.574 1.171 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.96 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 1.0 109.955 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 178.98 62.65 0.1 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.04 156.28 42.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 1.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.64 ' HD2' ' HB1' ' A' ' 50' ' ' ALA . 33.7 mmt180 -149.71 83.81 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.427 ' CB ' HG22 ' A' ' 35' ' ' THR . 83.6 p -92.79 137.51 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 110.083 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.29 156.99 27.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.46 1.1 . . . . 1.0 111.036 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.736 ' CG2' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -72.64 -17.06 61.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.745 . . . . 1.0 110.416 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.54 13.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 45' ' ' ARG . . . -73.26 -40.12 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 1.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.75 HG12 HG23 ' A' ' 36' ' ' VAL . 16.7 mt -61.28 -40.36 85.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 1.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' THR . 1.4 tmm_? -76.52 -64.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.79 -35.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -77.3 -66.55 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.546 ' CE2' HG23 ' A' ' 51' ' ' ILE . 1.3 m-85 -42.66 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.83 -50.54 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -52.83 -25.05 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -86.8 -50.05 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.447 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -58.74 -16.92 18.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -23.41 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.778 HD12 ' HD2' ' A' ' 62' ' ' PRO . 12.7 tp -91.49 134.15 29.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.778 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 70.99 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 1.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -116.6 166.74 11.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.574 ' HB1' HD21 ' A' ' 19' ' ' ASN . . . -134.96 116.43 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 1.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.564 HG22 HG12 ' A' ' 84' ' ' VAL . 92.9 t -101.85 137.53 29.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.001 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -65.36 161.92 18.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.61 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -174.08 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 110.399 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -65.6 -82.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' GLN . 1.5 mt-10 -178.36 175.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 1.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.722 HG22 ' HB3' ' A' ' 80' ' ' PHE . 18.9 t -137.13 99.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.518 ' CZ ' HD11 ' B' ' 98' ' ' ILE . 12.0 mmt85 -77.27 81.0 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 1.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.779 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -89.96 117.53 28.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -177.42 150.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.84 50.26 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 1.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 51.34 21.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.24 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.468 ' O ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -120.05 159.91 23.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.0 110.346 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -148.71 95.65 2.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 109.277 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' B' ' 115' ' ' LEU . . . -102.34 97.95 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.77 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -112.89 163.63 14.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 1.0 111.009 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . . . -127.0 114.94 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 1.021 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 30.7 m-85 -105.8 172.86 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.564 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -124.31 118.59 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.644 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.9 OUTLIER -96.78 130.68 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.517 ' HA ' HG23 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -110.96 124.68 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 1.0 109.988 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -163.41 152.26 14.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 1.0 110.258 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 mttp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.725 HG22 HG23 ' A' ' 121' ' ' ILE . 25.7 m -157.17 144.9 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 1.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.8 OUTLIER -130.29 114.17 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.991 HG22 ' CG1' ' A' ' 121' ' ' ILE . 93.8 t -93.66 166.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -137.97 75.53 41.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.546 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 156.52 42.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.634 HG22 ' NE2' ' A' ' 100' ' ' HIS . 3.4 mt -115.88 121.35 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 4.6 m-20 -100.47 126.62 46.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.634 ' NE2' HG22 ' A' ' 98' ' ' ILE . 44.0 m170 -111.21 94.64 5.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 1.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 112' ' ' MET . 3.3 m-30 -81.57 158.08 24.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -138.26 93.14 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 1.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -67.06 147.92 52.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 1.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.532 HG22 ' CD1' ' A' ' 103' ' ' PHE . 21.3 t -59.54 115.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 63.5 t -121.34 -4.57 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 132.23 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 1.0 109.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.542 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.4 mtm -143.03 132.01 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 1.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -126.88 167.51 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -139.83 164.75 29.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.522 HD23 HG12 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -152.1 102.0 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -115.8 131.03 57.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.727 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -119.39 -173.19 15.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 1.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.609 ' HA ' HD13 ' A' ' 121' ' ' ILE . 12.1 tp10 -101.67 -7.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 1.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.9 16.7 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 0.0 OUTLIER -132.41 42.58 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.372 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.991 ' CG1' HG22 ' A' ' 95' ' ' VAL . 4.9 mp -134.6 142.43 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.43 ' HB2' HG12 ' A' ' 94' ' ' VAL . 1.2 m-70 -132.64 107.7 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 1.0 109.651 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.14 157.53 21.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.64 173.47 46.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 1.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 109.305 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ttm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.472 0.177 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.92 137.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -95.39 155.46 38.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 1.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -63.0 -45.53 91.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.34 -44.8 74.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.648 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.708 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 16.8 mtm -55.77 -54.71 41.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.427 HG23 HG11 ' B' ' 71' ' ' VAL . 4.2 m -58.37 -45.75 87.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 1.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.4 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.81 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.72 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 5.0 t -62.13 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.85 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.25 -39.83 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.452 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 10.3 t80 -59.88 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 1.0 111.057 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 11' ' ' VAL . 71.3 t -58.32 -60.74 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.28 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.575 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -64.62 -41.15 96.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' B' ' 15' ' ' VAL . 7.9 tp -62.77 -55.34 27.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.66 -24.0 66.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.62 -16.03 56.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.465 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . 66.08 38.69 94.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.555 1.159 . . . . 1.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.78 ' O ' HD12 ' B' ' 26' ' ' ILE . 65.2 m-20 -97.97 82.64 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.802 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.5 OUTLIER -54.17 -55.97 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -59.5 -26.81 65.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -71.04 -70.3 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.78 HD12 ' O ' ' B' ' 22' ' ' ASP . 2.6 mp -47.84 -32.1 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 1.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.802 HG23 ' O ' ' B' ' 23' ' ' LEU . 88.7 t -75.02 -36.6 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -66.77 -69.16 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 31.9 p90 -83.06 -175.88 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -49.26 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.827 ' O ' HG23 ' B' ' 48' ' ' THR . 1.2 p30 -103.16 -10.18 19.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -124.64 14.87 8.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 1.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.903 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -60.51 169.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 1.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.585 HG22 ' CB ' ' B' ' 46' ' ' SER . 77.5 p -121.63 133.75 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 1.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.759 HG23 HG12 ' B' ' 51' ' ' ILE . 27.0 t -106.73 150.54 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 2.0 tm-20 -150.36 74.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 1.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -142.47 147.13 41.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.601 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -59.23 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.995 -2.502 . . . . 1.0 111.002 -0.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.601 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -162.04 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.91 19.45 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p 60.49 -178.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 109.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 70.69 64.94 0.44 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.455 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.1 Cg_endo -75.05 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 1.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' B' ' 35' ' ' THR . 11.3 mtp180 -140.15 161.34 37.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 1.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.585 ' CB ' HG22 ' B' ' 35' ' ' THR . 13.5 p -143.46 143.09 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 1.0 110.05 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 148.34 23.74 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.827 HG23 ' O ' ' B' ' 32' ' ' ASP . 31.0 p -63.9 -14.08 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.754 . . . . 1.0 110.434 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.71 -65.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.75 78.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.903 HD11 ' O ' ' B' ' 34' ' ' ALA . 92.3 mt -56.82 -53.17 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 1.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.739 ' HG3' HD12 ' B' ' 23' ' ' LEU . 39.9 ttp85 -58.52 -46.14 87.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 1.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.33 -35.68 74.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -62.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.676 ' CE2' HG21 ' B' ' 26' ' ' ILE . 5.2 m-85 -52.16 -51.27 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.765 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -56.22 -58.47 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 2.6 m120 -43.32 -39.84 3.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 1.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -45.39 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 1.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.546 ' CD1' ' CD2' ' B' ' 23' ' ' LEU . 0.3 OUTLIER -58.37 -21.09 48.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 1.0 109.373 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -44.78 -26.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' B' ' 59' ' ' LEU . 13.3 tp -102.21 116.78 62.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.765 . . . . 1.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.695 HD13 HG23 ' B' ' 65' ' ' VAL . 0.2 OUTLIER -124.22 -176.39 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -122.97 87.75 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.801 HG22 ' HB ' ' B' ' 84' ' ' VAL . 76.8 t -88.03 138.24 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.627 ' HA ' HG11 ' B' ' 15' ' ' VAL . 10.3 tt0 -171.73 140.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 1.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.503 HD12 ' C ' ' B' ' 67' ' ' LEU . 1.2 pp -69.95 151.11 45.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 1.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.47 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 3.5 mt-30 -143.63 -82.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.414 ' HB3' ' NH1' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -162.17 151.59 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.927 HG22 ' HB2' ' B' ' 80' ' ' PHE . 60.8 t -130.24 103.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.423 ' CG ' ' ND2' ' A' ' 120' ' ' ASN . 1.6 mpt_? -93.51 97.8 10.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.708 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -93.83 115.91 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.548 HG22 ' H ' ' B' ' 75' ' ' ALA . 0.7 OUTLIER -174.75 -175.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 1.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.603 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . 42.01 47.25 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 76' ' ' ASN . 0.4 OUTLIER 43.05 53.94 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.501 ' OE1' ' CD2' ' A' ' 115' ' ' LEU . 1.2 pp20? -179.37 146.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.291 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' B' ' 7' ' ' MET . . . -106.61 128.69 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -128.49 103.87 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.927 ' HB2' HG22 ' B' ' 71' ' ' VAL . 29.5 p90 -125.58 169.61 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.471 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -121.0 134.93 55.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.638 ' CD2' HG13 ' B' ' 65' ' ' VAL . 52.4 p90 -134.06 168.62 18.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 1.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -104.64 163.44 12.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 1.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.801 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.2 OUTLIER -141.2 114.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.461 1.1 . . . . 1.0 109.242 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.92 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.5 OUTLIER -87.58 117.25 26.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.746 ' CE1' HG23 ' B' ' 95' ' ' VAL . 1.4 p90 -154.62 142.72 20.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 110.285 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -79.87 158.94 26.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.233 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.539 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 27.1 m -157.11 151.68 25.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 1.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -135.07 113.11 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.746 HG23 ' CE1' ' B' ' 86' ' ' PHE . 25.6 t -90.77 167.17 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.486 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -141.66 70.25 25.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.571 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.04 164.21 33.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 1.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.892 HG22 ' CE1' ' B' ' 100' ' ' HIS . 4.7 mt -114.81 133.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 1.0 109.355 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' B' ' 79' ' ' ALA . 0.7 OUTLIER -109.01 139.82 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.892 ' CE1' HG22 ' B' ' 98' ' ' ILE . 0.0 OUTLIER -138.92 97.56 3.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 1.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -93.61 129.36 39.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.443 ' HA ' ' CB ' ' B' ' 77' ' ' GLU . 1.8 tpp180 -95.96 127.95 42.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 1.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.757 ' CD2' HG22 ' B' ' 109' ' ' VAL . 20.8 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 1.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.757 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -73.05 124.87 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.595 ' O ' HG12 ' B' ' 110' ' ' VAL . 40.8 t -131.01 6.82 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.62 151.6 13.15 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 1.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.531 ' HE1' ' OH ' ' B' ' 55' ' ' TYR . 1.1 ptt? -170.62 137.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' B' ' 37' ' ' GLU . 21.2 ptt-85 -131.41 -179.1 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 1.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' B' ' 39' ' ' PRO . . . -142.82 171.05 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -147.7 110.92 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 1.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.57 ' CE1' ' CB ' ' B' ' 97' ' ' PRO . 5.0 m-85 -105.62 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 1.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -167.01 174.26 42.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -94.44 -24.38 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.24 11.82 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.213 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -111.66 28.71 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.679 HG12 HG22 ' B' ' 95' ' ' VAL . 3.5 mt -130.33 137.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.419 ' HB2' HG12 ' B' ' 94' ' ' VAL . 7.0 m-70 -128.75 105.14 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.582 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.08 169.07 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 173.65 40.19 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 1.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 1.0 109.275 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.677 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -154.84 154.6 29.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 110.364 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -26.12 11.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 1.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 6.1 pt-20 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.677 ' HB2' HG23 ' A' ' 3' ' ' THR . 7.7 t-160 -73.81 -45.77 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 1.0 109.61 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.96 ' HG2' ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -58.29 -58.25 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 1.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 m -59.99 -45.34 93.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 1.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -58.3 -33.82 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.612 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 4.0 t -68.48 -44.18 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.714 HG22 ' CE2' ' A' ' 80' ' ' PHE . 73.1 t -57.02 -43.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -52.54 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 1.0 110.239 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -56.12 -38.14 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.689 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 81.7 t80 -61.33 -64.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.614 HG13 HG12 ' A' ' 65' ' ' VAL . 2.7 t -44.65 -44.4 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 1.0 109.215 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.25 27.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.542 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -59.93 -33.28 71.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.689 HD21 ' CZ ' ' A' ' 14' ' ' TYR . 3.9 mm? -63.26 -47.08 83.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -62.93 -35.09 78.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.21 -6.72 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 58.66 24.93 57.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 1.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.58 103.98 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 1.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.748 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -74.18 -62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 1.0 109.383 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -43.5 -41.37 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -64.94 -62.28 5.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.821 HG21 ' CE2' ' A' ' 55' ' ' TYR . 56.5 mt -51.44 -22.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.622 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 4.2 t -86.36 -30.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -85.4 -7.35 58.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.489 ' CD2' HG13 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -72.72 -68.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 1.013 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 28.7 p90 -75.34 -174.51 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 1.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.618 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -54.0 -171.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 1.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 48' ' ' THR . 17.1 t70 -109.77 -7.44 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -141.67 34.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -73.82 -177.95 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 46' ' ' SER . 2.7 p -129.47 122.08 28.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 1.0 110.345 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.733 HG21 HG23 ' A' ' 51' ' ' ILE . 47.9 t -102.89 143.12 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' CG ' ' HA ' ' A' ' 113' ' ' ARG . 9.5 pt-20 -150.93 101.87 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.503 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -135.73 126.81 17.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -75.04 -74.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.001 -2.499 . . . . 1.0 111.01 0.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.734 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 1.3 t -144.44 142.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.83 26.82 18.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.431 1.082 . . . . 1.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -112.89 79.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.38 85.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 110.318 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 143.9 29.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 1.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -107.69 144.9 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 35' ' ' THR . 89.6 p -131.97 117.37 18.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.18 128.49 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 1.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.599 ' OG1' HG13 ' A' ' 27' ' ' VAL . 2.7 t -47.38 -23.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 1.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.64 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 1.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -58.57 -38.46 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 1.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.013 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 76.6 mt -57.3 -39.53 68.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.645 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -71.58 -69.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 1.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -44.54 -32.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 1.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.4 t80 -71.99 -67.95 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.821 ' CE2' HG21 ' A' ' 26' ' ' ILE . 1.9 m-85 -45.42 -39.89 7.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 1.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.748 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . . . -65.36 -54.27 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.33 -28.26 11.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -55.1 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.559 HD12 ' CD2' ' A' ' 23' ' ' LEU . 1.8 mt -53.89 -20.14 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -39.92 -29.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 86' ' ' PHE . 12.6 tp -93.23 136.08 24.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.06 83.7 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 1.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.853 HD22 HG23 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -107.39 -175.0 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.81 109.74 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.614 HG12 HG13 ' A' ' 15' ' ' VAL . 3.0 t -92.83 141.66 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -168.38 143.94 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 1.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.65 179.41 7.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.414 HG22 ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER 178.56 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 1.0 110.412 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.487 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -63.36 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -171.66 176.97 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 110.292 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.896 HG22 ' CB ' ' A' ' 80' ' ' PHE . 90.2 t -124.47 139.37 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 1.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.499 ' NH2' ' ND2' ' B' ' 120' ' ' ASN . 0.1 OUTLIER -117.7 85.61 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 110.337 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.532 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -89.72 136.5 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.28 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.06 ' CG1' HG21 ' B' ' 40' ' ' VAL . 0.8 OUTLIER -152.63 -143.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -45.37 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 17.9 m-80 36.05 34.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.59 ' OE1' ' CE1' ' A' ' 100' ' ' HIS . 3.2 mt-10 -125.77 158.48 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 1.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.96 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -154.23 90.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.532 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -104.5 100.45 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.896 ' CB ' HG22 ' A' ' 71' ' ' VAL . 41.3 p90 -122.48 154.99 37.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -107.79 124.99 50.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.622 1.201 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.584 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 24.4 p90 -123.3 173.84 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 1.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.414 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -114.79 155.4 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 110.386 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.921 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 1.4 p -151.74 109.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -98.69 134.32 41.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.057 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.921 ' CZ ' HG22 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -120.69 167.42 12.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 124' ' ' GLY . 16.5 mttp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 94' ' ' VAL . 2.8 m -127.63 170.68 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.4 p -148.0 96.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 1.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.018 HG12 ' HD3' ' A' ' 97' ' ' PRO . 41.3 t -88.14 142.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -122.61 70.01 35.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 1.018 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.0 Cg_endo -74.99 170.41 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.72 HD11 ' OE1' ' B' ' 70' ' ' GLU . 4.3 mt -118.27 122.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 1.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -90.36 125.21 35.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.258 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.59 ' CE1' ' OE1' ' A' ' 77' ' ' GLU . 51.8 t-80 -114.6 95.93 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 1.0 109.575 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.677 ' CD1' HG11 ' A' ' 109' ' ' VAL . 7.1 m-85 -90.28 143.62 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.488 ' CG ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -131.02 92.92 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.612 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 2.6 m-85 -67.25 156.17 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 1.0 109.239 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 101' ' ' PHE . 31.4 t -76.4 115.51 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 109.385 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.507 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 62.5 t -115.11 -12.03 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 1.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 102' ' ' ARG . 0.5 OUTLIER -128.01 124.93 38.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.026 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.542 ' HG2' HG13 ' A' ' 36' ' ' VAL . 2.3 ttp -136.51 99.75 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 115' ' ' LEU . 2.6 ttm-85 -118.83 123.26 44.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 1.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -103.56 117.0 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.52 HD13 ' NE2' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -95.87 120.79 36.77 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 97' ' ' PRO . 3.5 m-85 -101.35 -175.2 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.734 ' O ' HD13 ' A' ' 121' ' ' ILE . . . -158.05 -173.14 26.08 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.508 1.13 . . . . 1.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.94 -18.11 13.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 1.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -109.2 14.88 23.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 1.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.531 ' C ' HD12 ' A' ' 121' ' ' ILE . 43.0 m-80 -111.56 -12.77 13.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 1.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.821 HG13 HG13 ' A' ' 95' ' ' VAL . 1.9 mp -102.91 135.33 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -133.9 102.93 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.606 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.51 161.41 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . -172.87 -173.24 39.19 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 1.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 1.0 109.265 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.524 0.202 . . . . 1.0 111.049 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -82.48 85.27 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -127.22 155.51 76.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.416 ' HA ' ' HB1' ' B' ' 73' ' ' ALA . 18.1 Cg_endo -75.04 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.771 . . . . 1.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.58 84.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -70.54 -44.12 68.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.571 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.796 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -56.27 -54.83 40.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.806 HG23 HG11 ' B' ' 71' ' ' VAL . 7.4 m -59.05 -49.84 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.28 -37.96 67.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 1.0 109.296 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.733 HG21 ' HZ ' ' B' ' 103' ' ' PHE . 3.4 t -68.16 -35.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 1.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' B' ' 80' ' ' PHE . 6.4 t -65.0 -49.34 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.71 -53.9 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.36 -41.51 76.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.482 ' HH ' ' HH ' ' B' ' 55' ' ' TYR . 21.3 t80 -56.81 -53.9 52.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.062 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' B' ' 66' ' ' GLU . 53.6 t -54.25 -57.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.75 -42.3 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -63.48 -48.65 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.83 -55.25 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.76 -26.33 68.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.43 -11.75 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 65.39 25.19 71.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.546 1.154 . . . . 1.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.63 ' O ' HD12 ' B' ' 26' ' ' ILE . 13.4 t0 -84.53 87.91 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 1.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.553 HD21 ' CB ' ' B' ' 55' ' ' TYR . 2.0 mt -65.61 -59.01 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -51.65 -43.28 62.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -59.73 9.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 1.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.63 HD12 ' O ' ' B' ' 22' ' ' ASP . 9.0 mt -50.74 -39.95 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.646 HG22 ' CG2' ' B' ' 51' ' ' ILE . 41.6 t -65.08 -34.88 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.47 57.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -60.54 -46.04 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 1.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.769 ' HE1' HD13 ' B' ' 51' ' ' ILE . 5.4 p90 -113.09 -175.37 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.796 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -52.42 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.455 ' O ' HG23 ' B' ' 48' ' ' THR . 31.5 m-20 -106.35 -19.95 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 1.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.85 21.3 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -62.4 153.87 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 1.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.703 HG22 ' CB ' ' B' ' 46' ' ' SER . 20.5 p -100.91 124.99 47.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 1.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.665 HG21 HG12 ' B' ' 51' ' ' ILE . 21.4 t -100.56 138.02 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -126.76 63.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.6 ' CG ' ' CZ ' ' B' ' 54' ' ' PHE . 0.9 OUTLIER -115.8 134.33 22.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.772 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -74.93 -57.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.095 0 C-N-CA 121.025 -2.489 . . . . 1.0 110.983 -0.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 1.06 HG21 ' CG1' ' A' ' 74' ' ' VAL . 2.5 t -112.48 -174.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.814 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -53.77 -17.37 6.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.554 1.159 . . . . 1.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -57.97 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 0.718 . . . . 1.0 110.019 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' GLY . 0.2 OUTLIER 83.84 86.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 1.0 110.263 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.808 . . . . 1.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.521 ' CD ' ' HB1' ' B' ' 50' ' ' ALA . 9.4 mtt180 -160.02 175.26 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.703 ' CB ' HG22 ' B' ' 35' ' ' THR . 1.3 p 178.61 150.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 1.0 110.08 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.62 155.84 30.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 32' ' ' ASP . 29.8 p -64.8 -15.97 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 0.812 . . . . 1.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -74.08 -59.78 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.521 ' HB1' ' CD ' ' B' ' 45' ' ' ARG . . . -67.8 -33.61 75.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.769 HD13 ' HE1' ' B' ' 30' ' ' PHE . 20.9 mt -63.64 -65.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 2.6 ttp180 -56.49 -48.04 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 62.8 tt0 -54.49 -35.87 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 110.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.6 ' CZ ' ' CG ' ' B' ' 38' ' ' ASP . 0.2 OUTLIER -74.83 -72.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.846 ' O ' HD12 ' B' ' 59' ' ' LEU . 4.4 m-85 -46.26 -25.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 1.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -77.04 -67.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -50.58 -22.97 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -85.69 -46.84 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 1.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.846 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.6 OUTLIER -60.5 -21.7 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 1.0 109.233 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -19.62 8.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.527 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -99.46 140.11 21.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 55.08 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.925 ' O ' HD13 ' B' ' 63' ' ' LEU . 0.0 OUTLIER -93.89 132.13 38.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 1.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.746 ' N ' HD22 ' B' ' 63' ' ' LEU . . . -108.07 98.8 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.822 HG23 HD21 ' B' ' 63' ' ' LEU . 1.6 t -93.49 146.86 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.575 ' HA ' HG11 ' B' ' 15' ' ' VAL . 4.1 tt0 -167.49 138.19 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 1.0 110.27 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.489 HD22 HG12 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -74.29 140.5 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 1.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.479 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 73.3 p -114.55 -23.26 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.807 HE22 ' HB3' ' B' ' 81' ' ' ALA . 0.2 OUTLIER 171.23 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 1.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.72 ' OE1' HD11 ' A' ' 98' ' ' ILE . 2.2 mt-10 60.33 116.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 1.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.806 HG11 HG23 ' B' ' 8' ' ' THR . 42.6 t -155.21 70.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.462 ' CG ' HD12 ' A' ' 98' ' ' ILE . 14.0 mmt85 -66.25 92.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.584 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -97.82 79.34 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.444 HG11 HG23 ' A' ' 40' ' ' VAL . 1.5 t -138.78 161.08 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.734 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 48.05 50.15 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 103' ' ' PHE . 2.0 t-20 45.41 43.65 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.414 ' OE1' ' CG ' ' B' ' 102' ' ' ARG . 2.0 tp10 -148.1 126.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.796 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -109.66 96.41 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.701 ' CB ' ' CE1' ' B' ' 100' ' ' HIS . . . -100.69 100.07 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.687 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 26.4 p90 -112.24 161.26 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 1.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.807 ' HB3' HE22 ' B' ' 69' ' ' GLN . . . -115.32 116.02 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 1.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' B' ' 96' ' ' ALA . 28.9 p90 -116.2 -168.8 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.159 . . . . 1.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.1 OUTLIER -128.02 160.71 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.563 ' HB ' HD21 ' B' ' 63' ' ' LEU . 0.9 OUTLIER -137.81 113.69 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -94.87 114.55 26.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 1.0 110.059 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.599 ' HE1' HG23 ' B' ' 95' ' ' VAL . 2.1 p90 -153.08 147.41 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.255 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.302 -0.258 . . . . 1.0 110.302 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.586 ' HD3' ' HB2' ' B' ' 125' ' ' ALA . 1.0 OUTLIER -89.03 156.41 18.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 1.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.599 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 33.1 m -156.75 144.78 19.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -127.44 113.94 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 1.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.625 HG13 HG13 ' B' ' 121' ' ' ILE . 13.1 t -93.24 166.71 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.09 67.18 33.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.49 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.28 35.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.5 HG23 ' O ' ' B' ' 80' ' ' PHE . 3.4 mt -111.89 123.56 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.687 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -92.44 119.58 32.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.368 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.701 ' CE1' ' CB ' ' B' ' 79' ' ' ALA . 0.2 OUTLIER -101.93 93.82 5.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 1.0 109.573 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' B' ' 77' ' ' GLU . 9.9 m-30 -84.41 143.04 29.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.155 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' OE1' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -126.18 123.94 39.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 1.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.733 ' HZ ' HG21 ' B' ' 10' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.462 ' O ' HG23 ' B' ' 110' ' ' VAL . 2.5 mttt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.663 HG23 ' CE1' ' B' ' 103' ' ' PHE . 43.9 t -53.55 115.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.796 HG22 ' HB2' ' B' ' 31' ' ' ALA . 53.6 t -134.08 8.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 109.332 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.81 138.24 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.754 ' HE2' ' CG ' ' B' ' 30' ' ' PHE . 1.6 mtt -146.99 151.27 36.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -152.73 169.99 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 1.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -143.87 167.27 22.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -148.13 110.42 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.554 ' O ' ' CG ' ' B' ' 116' ' ' PHE . 3.5 p90 -120.04 123.48 43.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.503 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -103.98 173.34 21.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.472 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.2 OUTLIER -93.08 -10.25 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.786 . . . . 1.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -104.46 11.48 34.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.499 ' ND2' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -115.45 30.71 7.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.625 HG13 HG13 ' B' ' 95' ' ' VAL . 2.1 mt -127.06 140.66 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.54 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.2 OUTLIER -130.97 100.38 5.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 1.0 109.608 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.52 173.25 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' B' ' 125' ' ' ALA . . . 172.92 177.23 42.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.506 1.129 . . . . 1.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 0.798 . . . . 1.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.421 ' HA ' ' ND2' ' A' ' 76' ' ' ASN . 25.2 t-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -128.39 155.65 78.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.07 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -30.81 6.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.545 1.813 . . . . 1.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -45.86 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 1.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 10' ' ' VAL . 47.7 t60 -69.49 -47.55 63.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 109.644 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.477 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -56.29 -54.6 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 1.0 110.984 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 1.025 HG23 HG11 ' A' ' 71' ' ' VAL . 18.5 m -61.07 -37.36 82.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.42 94.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 103' ' ' PHE . 78.0 t -64.39 -35.07 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.6 t -65.38 -51.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 1.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -60.04 -46.57 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.43 -43.4 98.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 1.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.445 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 39.4 t80 -56.2 -49.61 73.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 1.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.867 HG11 ' H ' ' A' ' 67' ' ' LEU . 97.1 t -58.39 -62.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -42.28 -38.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -68.28 -46.77 69.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.387 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.012 HD23 HG11 ' A' ' 65' ' ' VAL . 9.6 tp -57.98 -57.66 11.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 4.9 t-20 -57.67 -41.18 81.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' ALA . . . -61.0 -18.58 58.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 82.89 7.34 87.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.583 1.177 . . . . 1.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.629 ' O ' HD12 ' A' ' 26' ' ' ILE . 15.0 m-20 -65.96 74.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 1.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.916 HD23 HD13 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -56.89 -60.0 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -50.86 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.55 -42.02 19.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 1.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 22' ' ' ASP . 15.0 mt -66.58 -48.5 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.93 HG21 ' HB2' ' A' ' 52' ' ' ARG . 3.3 t -60.77 -19.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.619 1.199 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.93 -22.39 17.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.387 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.6 tt -54.42 -40.16 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.155 . . . . 1.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 51' ' ' ILE . 1.9 p90 -114.09 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 1.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -44.55 166.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.683 ' O ' HG22 ' A' ' 48' ' ' THR . 3.2 p-10 -94.31 -16.88 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.63 19.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 1.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.719 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -63.75 158.82 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.613 HG22 ' HB2' ' A' ' 46' ' ' SER . 30.6 p -113.57 123.93 51.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 1.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.762 HG21 HG23 ' A' ' 51' ' ' ILE . 23.4 t -102.86 159.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 11.7 tp10 -155.84 73.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -144.32 150.02 46.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 1.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.498 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.96 -63.26 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.981 -2.508 . . . . 1.0 111.008 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.914 HG21 HG11 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -151.78 -175.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.183 . . . . 1.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 12.25 37.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 1.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p 63.2 -178.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 0.763 . . . . 1.0 109.93 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.55 76.23 0.14 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.4 22.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.583 1.833 . . . . 1.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -130.22 119.26 22.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.613 ' HB2' HG22 ' A' ' 35' ' ' THR . 8.5 p -106.45 132.6 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 1.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.92 127.99 5.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 1.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -47.72 -23.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 1.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.89 -50.67 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 45' ' ' ARG . . . -70.13 -36.02 74.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.762 HG23 HG21 ' A' ' 36' ' ' VAL . 61.7 mt -64.12 -66.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.93 ' HB2' HG21 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -51.4 -38.63 54.45 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 1.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.03 -49.82 74.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -62.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.504 ' HD2' HG22 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -45.78 -39.93 8.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 1.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -67.37 -52.52 38.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.34 -25.15 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -76.86 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 1.0 110.032 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.916 HD13 HD23 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -53.82 -19.82 4.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 86' ' ' PHE . 14.4 tp -93.65 139.28 22.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.076 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.523 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.01 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 1.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.842 HD22 HG23 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -84.63 -175.1 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.55 98.35 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.012 HG11 HD23 ' A' ' 18' ' ' LEU . 54.6 t -93.96 140.3 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.503 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 1.1 tt0 -171.84 130.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.867 ' H ' HG11 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -64.24 165.51 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.828 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -139.76 -44.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 110.397 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' CD ' ' OG1' ' A' ' 68' ' ' THR . 0.0 OUTLIER -170.68 -169.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 1.0 110.242 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.615 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 59.85 119.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.025 HG11 HG23 ' A' ' 8' ' ' THR . 58.7 t -157.61 61.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.922 HH21 ' H ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -58.8 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.477 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -95.01 117.65 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.68 153.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.98 50.69 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 1.0 109.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER 50.29 30.03 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.4 mt-10 -129.21 169.5 14.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.55 102.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.704 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -102.32 92.9 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.663 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 38.8 p90 -105.37 158.16 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -113.59 113.84 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 29.2 p90 -113.35 -177.82 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -118.93 164.17 15.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.107 . . . . 1.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.93 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 1.3 p -159.46 106.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 93' ' ' THR . 5.7 t -97.86 136.59 37.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.93 ' CZ ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -124.26 170.3 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.961 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 1.0 110.28 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 85' ' ' SER . 98.1 m -151.71 166.3 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -142.8 96.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.911 HG12 ' HD3' ' A' ' 97' ' ' PRO . 58.4 t -92.72 146.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -126.44 70.63 70.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.911 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.4 Cg_endo -74.94 163.4 35.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 111.031 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.743 HD12 ' HG3' ' B' ' 72' ' ' ARG . 27.4 mt -113.72 118.83 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.663 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.0 m-20 -94.62 135.87 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.704 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 10.1 t-160 -123.58 108.4 12.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 15.4 m-30 -97.62 157.91 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -148.15 109.05 4.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 110.309 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.957 ' CD1' HG22 ' A' ' 109' ' ' VAL . 5.7 m-30 -93.88 157.0 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 tttp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.957 HG22 ' CD1' ' A' ' 103' ' ' PHE . 12.6 t -75.66 116.64 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 1.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.71 HG13 ' HA ' ' A' ' 34' ' ' ALA . 21.2 t -134.11 9.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.33 113.38 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.74 ' SD ' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -148.76 133.92 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -141.66 178.75 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB2' ' OD2' ' A' ' 99' ' ' ASP . . . -144.69 168.24 20.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 1.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.509 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.3 OUTLIER -150.71 108.62 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 97' ' ' PRO . 1.1 m-85 -69.37 -175.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.54 175.05 21.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -123.06 -3.37 8.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.786 . . . . 1.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -133.18 9.24 4.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.738 ' C ' HD12 ' A' ' 121' ' ' ILE . 1.3 m-20 -113.67 27.01 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 120' ' ' ASN . 2.8 mp -121.61 138.41 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 122' ' ' HIS . 0.6 OUTLIER -128.39 104.37 7.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.0 109.602 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.93 18.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.26 175.44 46.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 1.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 1.0 109.338 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.453 ' HG3' ' CG2' ' B' ' 3' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.538 0.209 . . . . 1.0 110.956 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' B' ' 76' ' ' ASN . 0.6 OUTLIER -79.35 98.48 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 1.0 109.36 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.453 ' CG2' ' HG3' ' B' ' 1' ' ' MET . 9.7 p -128.38 155.74 78.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 1.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.36 9.22 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 1.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.51 -38.89 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -72.33 -48.21 43.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 1.0 109.643 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.0 mtm -57.08 -53.92 52.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.443 1.089 . . . . 1.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -60.47 -44.07 96.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.435 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.79 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.72 HG21 ' HZ ' ' B' ' 103' ' ' PHE . 2.6 t -63.12 -57.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE1' ' B' ' 80' ' ' PHE . 3.3 t -52.88 -36.12 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.59 -54.17 31.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 1.0 110.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -34.77 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.543 ' HH ' ' HE1' ' B' ' 55' ' ' TYR . 9.0 t80 -65.56 -50.39 65.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.403 HG21 HD23 ' B' ' 67' ' ' LEU . 2.9 t -55.5 -46.17 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.03 -64.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 1.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -42.29 -37.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.621 ' HA ' HD11 ' B' ' 26' ' ' ILE . 9.7 tp -60.97 -57.84 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 1.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -60.06 -16.05 28.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 1.0 109.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.86 -29.69 23.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 1.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.412 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 88.28 20.05 50.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.524 ' O ' HD12 ' B' ' 26' ' ' ILE . 47.1 t0 -80.64 90.24 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.882 HD11 ' HA ' ' B' ' 56' ' ' ALA . 1.4 mt -71.91 -60.19 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -47.91 -49.66 29.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.38 -61.29 6.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 1.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.621 HD11 ' HA ' ' B' ' 18' ' ' LEU . 43.7 mt -41.8 -35.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 1.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.978 HG13 HG23 ' B' ' 48' ' ' THR . 1.0 OUTLIER -71.1 -47.64 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -69.45 -6.57 31.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 109.238 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.06 -37.26 82.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.928 ' CE2' HG21 ' B' ' 51' ' ' ILE . 0.8 OUTLIER -117.59 -174.31 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 1.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.649 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -43.9 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.525 ' C ' ' OG1' ' B' ' 48' ' ' THR . 2.6 p30 -80.33 -1.83 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 34' ' ' ALA . 9.0 t0 -129.91 -76.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 1.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' B' ' 110' ' ' VAL . . . 43.86 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.569 HG22 ' CB ' ' B' ' 46' ' ' SER . 64.4 p -149.73 127.97 12.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.775 HG23 HG12 ' B' ' 51' ' ' ILE . 14.0 t -109.93 136.85 44.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.541 ' O ' ' CG ' ' B' ' 37' ' ' GLU . 0.2 OUTLIER -145.25 109.22 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 1.0 110.359 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -161.62 145.82 9.85 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.629 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -74.98 -70.87 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.056 -2.477 . . . . 1.0 110.957 -0.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.629 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -163.61 175.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.177 . . . . 1.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 127.8 -1.4 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 1.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.2 m 86.81 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 1.0 110.09 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 6.3 tp10 -179.55 62.11 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.06 166.07 29.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.485 1.781 . . . . 1.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.5 OUTLIER -131.72 144.37 50.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.569 ' CB ' HG22 ' B' ' 35' ' ' THR . 96.2 p -132.53 140.96 48.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.32 125.94 5.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.388 1.055 . . . . 1.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.978 HG23 HG13 ' B' ' 27' ' ' VAL . 2.7 m -53.36 -19.44 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -53.79 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.01 -25.06 65.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.928 HG21 ' CE2' ' B' ' 30' ' ' PHE . 65.2 mt -71.74 -45.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.871 ' HB2' HG21 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -69.24 -44.61 71.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.03 -46.36 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -61.38 -60.6 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.874 ' O ' HD12 ' B' ' 59' ' ' LEU . 1.6 m-85 -58.03 -22.17 48.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.882 ' HA ' HD11 ' B' ' 23' ' ' LEU . . . -72.03 -68.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 1.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' B' ' 57' ' ' ASN . 0.9 OUTLIER -47.4 -35.22 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.424 ' N ' ' ND2' ' B' ' 57' ' ' ASN . 36.6 t -71.64 -46.38 59.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.874 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.2 OUTLIER -59.2 -23.62 62.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 1.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -44.27 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' B' ' 62' ' ' PRO . 9.6 tp -95.83 140.52 22.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.98 54.95 3.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 1.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.494 ' HG ' HD23 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -57.03 160.87 3.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.898 ' HB3' ' HB2' ' B' ' 85' ' ' SER . . . -132.03 64.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.726 HG13 ' HD2' ' B' ' 82' ' ' PHE . 55.2 t -69.3 139.3 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' B' ' 67' ' ' LEU . 25.6 tp10 -161.74 142.56 10.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.108 . . . . 1.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' B' ' 82' ' ' PHE . 0.2 OUTLIER -76.64 169.72 17.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.418 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.1 OUTLIER -175.07 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 1.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.15 -101.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.834 ' CD ' HH21 ' B' ' 72' ' ' ARG . 3.3 pt-20 -169.79 176.8 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.928 HG22 ' CB ' ' B' ' 80' ' ' PHE . 95.8 t -122.84 138.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.834 HH21 ' CD ' ' B' ' 70' ' ' GLU . 0.0 OUTLIER -114.46 84.86 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.52 137.53 32.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 1.0 109.367 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 40' ' ' VAL . 1.5 t -147.48 -148.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.533 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -48.76 97.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' B' ' 2' ' ' ASN . 8.6 m-80 39.17 31.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 0.1 OUTLIER -123.88 156.98 35.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.253 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.51 94.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.48 100.07 9.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.234 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.928 ' CB ' HG22 ' B' ' 71' ' ' VAL . 22.7 p90 -117.49 157.54 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -107.85 119.11 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.726 ' HD2' HG13 ' B' ' 65' ' ' VAL . 7.3 p90 -121.75 162.18 21.29 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.596 1.185 . . . . 1.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.0 OUTLIER -107.72 160.35 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.413 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.712 HG12 ' CE2' ' B' ' 82' ' ' PHE . 0.7 OUTLIER -136.96 115.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.898 ' HB2' ' HB3' ' B' ' 64' ' ' ALA . 0.4 OUTLIER -94.51 114.37 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 109.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.616 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.6 p90 -147.47 147.38 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.453 ' CG ' ' HG3' ' B' ' 92' ' ' LYS . 54.2 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.375 -0.231 . . . . 1.0 110.375 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.453 ' HG3' ' CG ' ' B' ' 87' ' ' GLU . 10.1 mttt -95.78 158.78 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.63 HG23 ' HA ' ' B' ' 123' ' ' ALA . 4.0 m -155.02 146.4 23.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -130.87 116.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.755 HG13 HG13 ' B' ' 121' ' ' ILE . 3.4 t -96.44 162.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.46 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -142.81 63.53 13.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.577 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -74.97 162.8 36.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 1.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.546 HD12 ' HD2' ' A' ' 72' ' ' ARG . 48.4 mt -111.58 118.76 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CG ' ' CZ ' ' B' ' 80' ' ' PHE . 0.0 OUTLIER -97.79 131.6 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -129.34 116.23 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.566 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' B' ' 99' ' ' ASP . 2.4 m-85 -121.43 159.25 26.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 1.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' B' ' 76' ' ' ASN . 1.6 ptt85 -133.74 135.81 44.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 1.0 110.312 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.778 ' CE1' HG22 ' B' ' 109' ' ' VAL . 2.2 m-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 1.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.778 HG22 ' CE1' ' B' ' 103' ' ' PHE . 2.7 t -66.1 117.56 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.68 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 94.8 t -116.28 -15.04 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 1.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . 0.423 ' CB ' ' HG2' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -129.45 124.55 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.46 ' HG3' HG22 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -144.55 118.42 9.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 111.071 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CB ' ' HG3' ' B' ' 37' ' ' GLU . 4.0 mtm-85 -131.16 162.18 30.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 1.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -125.13 165.04 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.82 107.86 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -125.13 148.81 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.434 ' N ' ' OD1' ' B' ' 120' ' ' ASN . . . -123.84 -173.27 13.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.84 -27.09 44.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 1.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 5.71 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' B' ' 96' ' ' ALA . 3.6 m120 -89.97 -19.07 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 109.248 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.755 HG13 HG13 ' B' ' 95' ' ' VAL . 2.3 mp -96.29 135.21 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -131.8 95.46 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 1.0 109.525 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.63 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -53.36 165.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . 0.57 ' O ' ' HB2' ' B' ' 125' ' ' ALA . . . 179.08 173.43 44.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 1.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.736 . . . . 1.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.368 -0.605 . . . . 1.0 109.368 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -129.89 151.76 78.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.423 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -34.89 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 1.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.07 -41.79 79.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.595 ' O ' HG23 ' A' ' 10' ' ' VAL . 9.4 m170 -76.64 -53.02 8.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.83 ' HG2' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -47.8 -42.2 25.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -73.53 -51.74 15.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 1.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.8 -36.98 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.377 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.771 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 84.2 t -72.31 -52.01 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.649 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 3.9 t -50.76 -35.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -25.39 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 15.7 t80 -74.41 -57.34 4.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 1.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.001 HG21 HD23 ' A' ' 67' ' ' LEU . 2.9 t -49.54 -46.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.27 -63.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -42.55 -37.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HA ' HD11 ' A' ' 26' ' ' ILE . 30.9 tp -63.12 -53.72 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -60.78 -17.9 51.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.13 -24.42 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 78.07 41.67 17.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 1.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.59 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -94.26 95.44 8.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 1.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.3 mt -70.82 -51.7 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 1.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -46.12 87.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.65 -61.97 6.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.706 HG22 ' HE2' ' A' ' 30' ' ' PHE . 53.8 mt -49.33 -36.01 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 1.0 109.215 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.9 t -69.29 -35.53 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -76.74 -16.91 59.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 29' ' ' LEU . 1.3 mt -64.3 -66.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.706 ' HE2' HG22 ' A' ' 26' ' ' ILE . 29.5 p90 -88.12 -175.47 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -51.13 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -111.64 -13.29 13.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.269 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -115.66 6.54 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 109.261 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -56.54 176.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.585 HG22 ' CB ' ' A' ' 46' ' ' SER . 48.0 p -132.87 123.65 26.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.459 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 HG12 ' A' ' 51' ' ' ILE . 82.5 t -90.59 137.82 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -145.74 63.75 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -131.43 141.63 42.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 1.0 109.408 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.557 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.07 -65.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.953 -2.519 . . . . 1.0 111.025 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.92 HG21 HG11 ' B' ' 74' ' ' VAL . 0.6 OUTLIER -148.4 -176.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.545 ' H ' HG12 ' A' ' 40' ' ' VAL . . . 108.8 5.6 31.11 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.419 1.074 . . . . 1.0 111.066 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 m 63.37 -178.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 1.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.25 65.76 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.3 Cg_endo -74.95 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.787 ' CG ' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -128.29 107.39 9.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.585 ' CB ' HG22 ' A' ' 35' ' ' THR . 6.5 p -90.68 139.61 30.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 1.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 96.38 124.13 4.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 1.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -41.86 -27.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 1.0 110.415 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -65.02 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.787 ' HB1' ' CG ' ' A' ' 45' ' ' ARG . . . -55.92 -36.44 67.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.726 HG12 HG23 ' A' ' 36' ' ' VAL . 78.9 mt -62.84 -44.31 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -59.03 6.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 1.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 45.1 tt0 -49.19 -42.73 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 1.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.55 -62.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 1.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 26' ' ' ILE . 4.7 m-85 -55.7 -18.13 7.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 53' ' ' GLU . . . -76.06 -66.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' ND2' ' C ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -51.01 -29.96 13.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 109.287 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -76.98 -51.89 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.961 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.444 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 11.0 mt -56.62 -20.65 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.65 -27.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 1.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.6 tp -101.33 139.96 20.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 1.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.03 56.56 4.31 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 1.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.591 HD22 HG23 ' A' ' 84' ' ' VAL . 15.3 mt -53.13 165.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 1.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.764 ' HB3' ' HB3' ' A' ' 85' ' ' SER . . . -133.4 63.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.769 HG22 ' HB ' ' A' ' 84' ' ' VAL . 96.1 t -76.37 137.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 1.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 41.1 tt0 -156.5 145.97 20.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 1.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.001 HD23 HG21 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -76.87 144.41 39.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER 175.26 68.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 110.426 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.442 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER 178.35 -150.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.1 156.22 17.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 110.36 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.901 HG22 ' HB2' ' A' ' 80' ' ' PHE . 96.3 t -129.18 102.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.708 ' NH2' HD21 ' B' ' 120' ' ' ASN . 0.0 OUTLIER -71.67 79.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 77' ' ' GLU . . . -97.11 111.46 23.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.53 155.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB2' ' N ' ' B' ' 41' ' ' GLY . . . 54.38 50.42 16.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.8 m120 51.64 26.13 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 5.0 tt0 -121.29 165.96 14.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 1.0 110.382 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.83 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -157.09 90.76 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.828 ' HB1' ' CD2' ' A' ' 100' ' ' HIS . . . -108.0 95.73 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.901 ' HB2' HG22 ' A' ' 71' ' ' VAL . 50.5 p90 -112.16 163.9 13.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . . . -115.25 121.34 42.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.653 ' CD2' HG13 ' A' ' 65' ' ' VAL . 35.8 p90 -125.22 168.62 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.52 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 110.413 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.769 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -146.09 98.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.257 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.764 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 1.3 t -81.06 141.35 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.641 ' CE1' HG23 ' A' ' 95' ' ' VAL . 3.0 p90 -158.93 144.48 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.247 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 10.1 m -130.23 147.49 51.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 1.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -124.9 120.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.719 HG13 HG13 ' A' ' 121' ' ' ILE . 9.1 t -99.5 163.48 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -142.03 66.14 20.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 169.93 21.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 1.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.629 HD12 ' HD2' ' B' ' 72' ' ' ARG . 1.4 mt -115.1 126.4 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.594 ' OD2' ' CE1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -98.57 129.28 45.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 1.0 109.31 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.828 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 43.3 m170 -114.57 116.51 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.663 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . 16.5 m-30 -113.26 139.91 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -119.63 97.74 5.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 1.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.771 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 1.2 m-85 -75.17 117.72 17.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 1.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 1.0 109.341 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.902 ' O ' HG23 ' A' ' 110' ' ' VAL . 5.0 mttt . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.616 HG23 ' CE2' ' A' ' 103' ' ' PHE . 85.8 t -38.33 114.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 109.258 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 108' ' ' LYS . 88.9 t -114.52 -30.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.49 112.16 23.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 1.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' GLU . 1.1 ttp -123.74 115.34 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -143.25 135.83 27.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.293 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -104.41 166.84 10.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.804 HD23 ' CG2' ' B' ' 74' ' ' VAL . 0.5 OUTLIER -147.49 106.42 3.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 1.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -122.18 127.3 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -108.96 173.07 17.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 1.6 tt0 -76.5 -2.48 32.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 0.767 . . . . 1.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.81 27.22 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -139.64 24.83 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.719 HG13 HG13 ' A' ' 95' ' ' VAL . 2.2 mp -128.11 137.14 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.42 ' HB2' HG12 ' A' ' 94' ' ' VAL . 13.3 m-70 -125.94 118.09 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.436 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -89.15 147.68 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 1.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -177.02 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 1.0 109.357 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 t30 49.27 57.07 6.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 1.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.507 ' OG1' ' CG ' ' B' ' 6' ' ' HIS . 3.1 p -118.58 157.31 50.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.5 Cg_endo -74.92 -33.73 4.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 1.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -71.58 -31.43 66.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.35 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' OG1' ' B' ' 3' ' ' THR . 25.4 m170 -75.4 -61.44 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.589 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.902 ' SD ' ' HB1' ' B' ' 73' ' ' ALA . 21.6 ptp -53.44 -39.98 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' B' ' 7' ' ' MET . 76.8 m -69.42 -43.75 72.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -57.64 -34.4 69.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.467 1.104 . . . . 1.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.8 -50.79 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.703 HG22 ' CD2' ' B' ' 101' ' ' PHE . 2.5 t -50.82 -37.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -68.77 -54.29 16.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.8 -28.25 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.314 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 25.0 t80 -72.49 -59.48 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.32 -46.34 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 1.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -63.76 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 1.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -42.2 -35.39 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.367 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.524 ' HA ' HD11 ' B' ' 26' ' ' ILE . 17.2 tp -64.4 -58.76 5.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -16.84 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.66 -33.24 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.496 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 89.02 29.51 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.066 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.616 ' O ' HD12 ' B' ' 26' ' ' ILE . 33.3 m-20 -92.63 92.71 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 1.0 109.213 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.04 -61.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -50.24 42.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.14 -60.12 9.18 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.449 1.093 . . . . 1.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.616 HD12 ' O ' ' B' ' 22' ' ' ASP . 30.4 mt -43.15 -40.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.56 0.8 . . . . 1.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.566 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 24.4 t -64.97 -46.96 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -66.0 -14.4 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -65.51 -46.46 79.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.1 p90 -113.46 -176.38 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.674 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.93 170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 1.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.817 ' O ' HG23 ' B' ' 48' ' ' THR . 2.5 p30 -97.55 -16.93 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.66 24.9 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.926 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -68.65 158.19 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.607 HG22 ' HB2' ' B' ' 46' ' ' SER . 12.8 p -120.72 121.74 38.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 1.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.81 HG23 HG12 ' B' ' 51' ' ' ILE . 28.7 t -97.96 151.33 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.479 ' OE1' ' CA ' ' B' ' 37' ' ' GLU . 2.6 tp10 -150.15 85.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 1.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.569 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -144.63 145.98 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.644 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -74.95 -62.98 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.644 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -166.36 -175.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.403 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 102.54 3.02 50.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.087 . . . . 1.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.7 m 85.24 114.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 0.801 . . . . 1.0 109.958 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.6 OUTLIER 160.71 70.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 167.79 26.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 1.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' B' ' 54' ' ' PHE . 3.8 ptt180 -147.72 96.68 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.607 ' HB2' HG22 ' B' ' 35' ' ' THR . 8.7 p -90.56 135.82 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.37 144.79 14.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.817 HG23 ' O ' ' B' ' 32' ' ' ASP . 50.4 p -61.79 -13.49 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 1.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -76.16 -48.99 18.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.364 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.4 ' HB1' ' CB ' ' B' ' 45' ' ' ARG . . . -76.11 -33.61 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.926 HD11 ' O ' ' B' ' 34' ' ' ALA . 97.2 mt -67.34 -51.14 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' B' ' 48' ' ' THR . 11.2 ptm180 -71.08 -38.4 72.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 7.0 tt0 -54.76 -55.02 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.651 ' CE1' ' NH2' ' B' ' 45' ' ' ARG . 5.8 t80 -64.56 -56.01 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 1.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.746 ' O ' HD12 ' B' ' 59' ' ' LEU . 1.8 m-85 -50.6 -26.07 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.88 -67.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.19 -27.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 1.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.77 -44.92 12.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.746 HD12 ' O ' ' B' ' 55' ' ' TYR . 1.1 mt -57.31 -21.71 36.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -21.02 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' B' ' 86' ' ' PHE . 12.6 tp -99.92 109.05 54.67 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 1.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.851 HD22 ' CG2' ' B' ' 84' ' ' VAL . 0.2 OUTLIER -129.44 -176.22 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -120.52 88.14 2.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.977 HG22 ' HB ' ' B' ' 84' ' ' VAL . 92.6 t -92.34 137.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -176.96 142.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' B' ' 80' ' ' PHE . 0.2 OUTLIER -59.77 149.1 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.521 HG21 ' CG2' ' B' ' 83' ' ' THR . 14.2 t -160.58 26.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.458 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.2 OUTLIER -142.37 -96.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 110.304 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -163.18 172.51 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 1.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.905 HG22 ' CB ' ' B' ' 80' ' ' PHE . 58.2 t -127.01 112.6 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.629 ' HD2' HD12 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -86.86 81.87 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 110.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.902 ' HB1' ' SD ' ' B' ' 7' ' ' MET . . . -81.57 152.72 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.92 HG11 HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -171.01 -162.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -39.78 98.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' B' ' 75' ' ' ALA . 0.7 OUTLIER 36.92 47.35 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 1.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.447 ' O ' ' SD ' ' B' ' 7' ' ' MET . 16.7 mt-10 -142.97 149.96 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 1.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.06 93.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 1.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.98 96.46 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.2 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.905 ' CB ' HG22 ' B' ' 71' ' ' VAL . 35.4 p90 -114.28 161.92 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 1.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -115.56 130.37 56.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.599 ' CE1' ' OD2' ' B' ' 99' ' ' ASP . 48.1 p90 -133.05 169.41 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 1.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.521 ' CG2' HG21 ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.23 170.61 7.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 1.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.977 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.1 OUTLIER -161.68 114.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.355 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.586 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 21.2 t -94.51 110.77 22.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -126.74 149.22 49.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.266 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.299 -0.26 . . . . 1.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 148.96 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.677 HG22 ' CG2' ' B' ' 121' ' ' ILE . 8.4 m -156.55 147.22 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.472 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.554 HG12 ' O ' ' B' ' 94' ' ' VAL . 2.5 t -113.07 93.86 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.813 HG12 ' HD3' ' B' ' 97' ' ' PRO . 79.4 t -81.57 145.98 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 1.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 1.012 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -126.92 72.46 75.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.813 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.3 Cg_endo -74.99 165.45 31.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.821 . . . . 1.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.505 HG12 ' HB2' ' B' ' 81' ' ' ALA . 5.4 mt -116.39 118.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 109.358 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.599 ' OD2' ' CE1' ' B' ' 82' ' ' PHE . 0.6 OUTLIER -92.68 137.62 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -132.4 104.32 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.61 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.703 ' CD2' HG22 ' B' ' 11' ' ' VAL . 13.3 m-30 -109.15 136.63 48.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.546 ' NE ' ' CB ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -120.23 132.44 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' B' ' 108' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.486 ' HA ' ' CE2' ' B' ' 103' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.455 HG22 ' CE1' ' B' ' 103' ' ' PHE . 4.5 t -73.81 124.58 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 1.0 109.218 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.62 HG22 ' CB ' ' B' ' 31' ' ' ALA . 97.9 t -125.38 -44.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.377 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . 0.546 ' CB ' ' NE ' ' B' ' 102' ' ' ARG . 3.1 m -93.71 117.97 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.624 ' SD ' HG22 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -131.11 124.52 30.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 111.063 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' B' ' 37' ' ' GLU . 1.1 ttm-85 -146.07 144.44 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 1.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.712 ' O ' HD12 ' B' ' 115' ' ' LEU . . . -114.29 177.59 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.712 HD12 ' O ' ' B' ' 114' ' ' ALA . 0.7 OUTLIER -153.17 107.48 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -105.38 -172.89 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.79 ' O ' HD11 ' B' ' 121' ' ' ILE . . . 170.98 -173.38 44.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 1.0 111.059 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 15.2 mt-10 -115.43 53.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 1.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -147.16 23.83 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 1.012 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -163.16 50.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 109.239 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.79 HD11 ' O ' ' B' ' 117' ' ' GLY . 4.0 mp -134.0 136.96 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -124.65 99.49 6.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 1.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.461 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -63.97 171.15 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.04 173.42 35.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.118 . . . . 1.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 11.1 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.609 HG23 ' CB ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -147.13 154.24 46.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.91 -29.16 8.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 4.5 mt-10 -69.46 -45.91 67.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.609 ' CB ' HG23 ' A' ' 3' ' ' THR . 2.8 t-160 -68.59 -48.55 63.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.553 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 71.1 mtm -62.08 -62.24 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 37.2 m -51.76 -41.32 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -58.02 -47.97 81.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.716 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 9.5 t -57.07 -42.43 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.614 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 4.4 t -57.85 -44.26 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 1.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -62.29 -40.57 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -35.3 79.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.4 t80 -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.19 -49.3 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 1.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.543 HD12 HD13 ' A' ' 26' ' ' ILE . 4.2 tp -61.27 -60.71 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -56.95 -23.01 42.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 1.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.56 -34.72 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.692 ' C ' HD11 ' A' ' 59' ' ' LEU . . . 92.05 21.21 33.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 1.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.648 ' O ' HD12 ' A' ' 26' ' ' ILE . 73.2 m-20 -83.1 91.89 7.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 0.722 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -67.34 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -48.03 -43.73 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 1.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.19 -57.79 17.99 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 1.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 22' ' ' ASP . 23.5 mt -51.7 -29.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -76.2 -33.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.59 58.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.146 . . . . 1.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -56.27 -47.19 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.877 ' CE1' HG21 ' A' ' 51' ' ' ILE . 12.8 p90 -106.82 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -51.4 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.954 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -105.14 -17.8 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 29.41 7.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.924 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -77.66 173.92 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.473 HG22 ' CB ' ' A' ' 46' ' ' SER . 7.5 p -120.62 118.79 31.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.733 HG21 HG23 ' A' ' 51' ' ' ILE . 65.0 t -97.52 137.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 5.0 mt-10 -120.65 61.72 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.546 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 2.8 t70 -109.91 136.76 20.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.722 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -75.05 -36.68 2.51 Favored 'Cis proline' 0 C--N 1.361 1.231 0 C-N-CA 120.946 -2.523 . . . . 1.0 111.031 0.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 41' ' ' GLY . 1.9 t -133.85 -173.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.739 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -54.03 -18.64 9.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 1.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -58.22 85.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 1.0 110.081 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLY . 15.8 mm-40 76.86 83.0 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -74.98 -179.06 4.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 1.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.641 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 2.0 mtt180 -144.14 147.15 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.473 ' CB ' HG22 ' A' ' 35' ' ' THR . 85.6 p -137.73 141.82 41.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.76 152.32 25.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.562 1.164 . . . . 1.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.954 HG23 ' O ' ' A' ' 32' ' ' ASP . 2.3 p -63.67 -13.07 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 1.0 110.433 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.72 -65.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.641 ' HB1' ' HD3' ' A' ' 45' ' ' ARG . . . -68.84 -38.3 79.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 1.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 34' ' ' ALA . 74.6 mt -57.61 -60.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HG3' HG21 ' A' ' 27' ' ' VAL . 12.4 ttm180 -58.83 -38.65 79.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.173 . . . . 1.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.05 -49.2 69.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -73.13 -60.29 2.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 1.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.623 ' CE1' ' CG2' ' A' ' 26' ' ' ILE . 1.5 m-85 -48.3 -23.28 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 1.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -84.44 -51.53 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 1.9 m120 -62.17 -14.51 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -55.03 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 ' C ' ' A' ' 21' ' ' GLY . 1.2 tm? -59.92 -16.01 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 1.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -62.16 -17.38 57.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.685 HD23 ' CD2' ' A' ' 63' ' ' LEU . 12.4 tp -90.55 113.08 56.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 92.45 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 1.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.728 HD12 ' H ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -122.97 -175.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.42 93.83 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.757 HG22 ' HB ' ' A' ' 84' ' ' VAL . 24.7 t -89.69 141.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -160.71 143.18 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.0 110.315 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.606 HD21 ' HD1' ' A' ' 80' ' ' PHE . 3.0 mt -70.35 160.57 32.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.479 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.7 OUTLIER 178.15 49.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -161.16 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 1.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 179.63 167.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.273 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.928 HG22 ' CB ' ' A' ' 80' ' ' PHE . 99.9 t -126.64 118.5 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.837 HH21 HD21 ' B' ' 120' ' ' ASN . 0.9 OUTLIER -89.23 81.92 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 77' ' ' GLU . . . -91.17 123.29 34.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.5 ' CG2' HD23 ' B' ' 115' ' ' LEU . 0.4 OUTLIER -142.27 -146.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -42.91 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ALA . 77.2 m-20 35.42 35.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 1.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.956 ' OE1' HD21 ' B' ' 115' ' ' LEU . 6.5 mt-10 -125.63 161.19 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.33 95.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 1.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -110.8 94.53 5.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.928 ' CB ' HG22 ' A' ' 71' ' ' VAL . 43.2 p90 -111.94 161.39 16.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -114.6 121.13 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.608 ' HD2' HG13 ' A' ' 65' ' ' VAL . 33.7 p90 -125.23 169.2 12.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -107.15 159.16 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 1.0 110.374 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.757 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -137.51 110.15 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.578 ' HA ' HG23 ' A' ' 94' ' ' VAL . 2.0 m -92.41 119.24 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 1.2 p90 -140.86 149.35 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 1.0 110.257 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 mtpm? . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.233 -0.655 . . . . 1.0 109.233 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 123' ' ' ALA . 1.9 m -149.84 149.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 110.472 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.578 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -131.11 116.29 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.249 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.889 HG22 HG12 ' A' ' 121' ' ' ILE . 68.1 t -94.11 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.54 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -138.27 71.46 46.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.582 HD12 ' HG3' ' B' ' 72' ' ' ARG . 1.9 mt -116.25 121.42 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.56 125.6 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 18.5 t-160 -122.75 110.6 15.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -110.35 147.36 34.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.497 1.123 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.68 102.59 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 1.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.716 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 3.2 m-85 -69.37 161.73 28.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.303 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.71 HG22 ' CD1' ' A' ' 103' ' ' PHE . 12.9 t -85.83 118.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.557 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 71.3 t -114.8 -10.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 1.0 109.259 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.46 131.21 51.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.3 mtp -145.58 142.46 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 162.98 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.321 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -139.63 170.88 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.92 98.16 3.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 1.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 97' ' ' PRO . 8.7 m-85 -105.32 125.87 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -116.15 172.74 14.37 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.554 1.159 . . . . 1.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -96.15 -19.81 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 1.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -88.23 13.08 12.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 1.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.877 ' CG ' HH21 ' B' ' 72' ' ' ARG . 0.2 OUTLIER -125.1 40.17 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.889 HG12 HG22 ' A' ' 95' ' ' VAL . 8.8 mt -133.15 138.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.428 ' HB2' HG12 ' A' ' 94' ' ' VAL . 11.1 m-70 -124.3 115.0 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.585 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -80.43 160.09 25.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.65 178.63 40.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 1.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.481 ' HA ' ' CD ' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 1.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.659 ' O ' HG22 ' B' ' 3' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.504 0.193 . . . . 1.0 111.047 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -67.6 104.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.729 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -159.11 155.32 23.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 1.0 110.447 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -59.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 1.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -43.03 -35.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 1.0 110.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.729 ' HB2' HG23 ' B' ' 3' ' ' THR . 8.0 t60 -76.13 -53.63 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 109.605 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.908 ' O ' HG23 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -47.8 -43.77 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 1.0 111.097 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -71.05 -52.97 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.6 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.7 -53.21 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.288 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 7' ' ' MET . 96.5 t -46.49 -41.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 109.374 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -52.07 48.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -54.16 -34.34 60.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.4 -58.53 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 t -50.5 -49.98 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.61 -59.44 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.417 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -48.78 -33.35 10.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.742 HD23 ' HB ' ' B' ' 65' ' ' VAL . 7.0 tp -65.77 -54.56 25.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -65.2 -13.63 58.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.74 4.44 53.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 1.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 23' ' ' LEU . . . 62.07 12.31 36.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.599 1.187 . . . . 1.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.657 ' O ' HD12 ' B' ' 26' ' ' ILE . 10.1 t0 -65.52 75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -64.97 -62.88 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.208 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.62 -52.76 36.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.591 1.182 . . . . 1.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.657 HD12 ' O ' ' B' ' 22' ' ' ASP . 28.6 mt -57.82 -36.64 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 0.716 . . . . 1.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.57 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 10.9 t -69.36 -26.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 1.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.33 -18.9 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -52.39 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.916 ' CE1' HG21 ' B' ' 51' ' ' ILE . 14.9 p90 -102.91 -178.53 3.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.67 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -49.29 176.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.74 ' O ' HG23 ' B' ' 48' ' ' THR . 4.6 m-20 -105.01 -17.02 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' B' ' 33' ' ' ASP . 13.3 p-10 -119.07 23.35 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -68.24 165.38 18.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.643 HG22 ' CB ' ' B' ' 46' ' ' SER . 23.2 p -115.26 140.56 48.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 1.197 . . . . 1.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.931 HG11 ' CE2' ' B' ' 54' ' ' PHE . 2.5 t -124.21 140.44 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.495 ' OE1' ' CA ' ' B' ' 44' ' ' PRO . 7.3 tp10 -128.69 76.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.635 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -138.88 146.8 51.54 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 1.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.635 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -74.97 -73.93 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.049 -2.48 . . . . 1.0 111.04 -0.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -157.06 152.85 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 1.0 109.241 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.602 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 148.39 -54.02 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.602 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.6 m 151.44 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 1.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' B' ' 42' ' ' SER . 7.5 pt-20 42.42 86.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 1.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.495 ' CA ' ' OE1' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -75.02 -167.2 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.772 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.6 OUTLIER -140.72 177.66 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.63 1.206 . . . . 1.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.647 ' O ' ' HB3' ' B' ' 50' ' ' ALA . 81.3 p -179.45 159.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.47 164.96 22.72 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.454 1.096 . . . . 1.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.74 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.8 p -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 1.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.3 -48.71 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 1.179 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' B' ' 46' ' ' SER . . . -60.48 -52.31 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.916 HG21 ' CE1' ' B' ' 30' ' ' PHE . 52.2 mt -59.43 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' B' ' 56' ' ' ALA . 18.4 ttp180 -46.43 -41.76 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 17.9 tp10 -67.02 -40.32 87.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.931 ' CE2' HG11 ' B' ' 36' ' ' VAL . 1.4 t80 -66.0 -62.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.496 ' CE2' ' CG2' ' B' ' 26' ' ' ILE . 24.2 m-85 -56.31 -56.07 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -51.98 -53.64 39.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 23.4 t-20 -55.24 -36.94 66.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -60.87 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -56.66 -21.15 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -44.86 -26.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.698 HD23 HD23 ' B' ' 63' ' ' LEU . 10.9 tp -85.98 139.74 34.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.08 62.64 5.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 1.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.698 HD23 HD23 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -116.37 -175.85 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.03 108.53 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.742 ' HB ' HD23 ' B' ' 18' ' ' LEU . 26.7 t -81.17 143.39 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.06 150.15 33.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.422 ' O ' ' HB ' ' B' ' 68' ' ' THR . 1.3 mt -85.2 149.69 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.515 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.7 t -179.42 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.424 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.6 OUTLIER -155.76 -150.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.453 ' OE1' ' ND2' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 1.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.918 HG22 ' HB2' ' B' ' 80' ' ' PHE . 90.8 t -130.32 103.55 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.877 HH21 ' CG ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -75.44 83.44 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' B' ' 7' ' ' MET . . . -97.57 109.13 21.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 1.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.447 ' CG1' HG21 ' A' ' 40' ' ' VAL . 1.1 p -169.23 162.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.21 50.81 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.63 32.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.923 ' HB3' ' CE1' ' B' ' 101' ' ' PHE . . . -143.71 113.28 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -125.94 97.88 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 1.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.918 ' HB2' HG22 ' B' ' 71' ' ' VAL . 32.0 p90 -115.73 168.03 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.486 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -122.46 126.94 48.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.589 ' CD2' HG13 ' B' ' 65' ' ' VAL . 36.1 p90 -131.15 177.23 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.515 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.3 OUTLIER -113.64 162.81 15.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.7 OUTLIER -138.46 125.21 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 1.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.3 OUTLIER -100.25 115.88 30.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.927 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 1.018 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.3 p90 -137.84 141.08 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.297 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.339 -0.245 . . . . 1.0 110.339 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -126.52 138.29 53.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.611 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 68.3 m -146.97 144.96 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -128.22 116.27 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 1.018 HG23 ' CE1' ' B' ' 86' ' ' PHE . 60.5 t -96.57 165.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.499 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -136.91 71.87 55.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.515 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.98 161.28 39.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 1.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.486 HG12 ' CB ' ' B' ' 81' ' ' ALA . 1.3 mt -115.09 117.59 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' B' ' 79' ' ' ALA . 1.3 m-20 -92.77 134.65 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' B' ' 78' ' ' ALA . 4.1 t-80 -146.79 117.82 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.923 ' CE1' ' HB3' ' B' ' 78' ' ' ALA . 1.3 p90 -140.8 164.68 29.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.84 ' O ' HG13 ' B' ' 109' ' ' VAL . 0.6 OUTLIER -113.53 156.86 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.84 HG13 ' O ' ' B' ' 102' ' ' ARG . 2.6 t -69.93 132.7 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 1.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' B' ' 31' ' ' ALA . 55.4 t -127.87 4.84 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 1.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.4 t -157.22 136.72 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 1.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.851 ' HG3' HG13 ' B' ' 36' ' ' VAL . 6.3 ptp -152.15 154.05 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.585 HH21 HH21 ' B' ' 102' ' ' ARG . 13.2 ttp85 -151.56 152.03 32.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 1.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.514 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -127.41 155.43 43.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 1.0 109.387 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.956 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -139.03 111.97 7.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -96.01 -176.03 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.726 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -156.16 175.5 33.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 1.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -103.53 -33.75 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 1.0 110.342 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -88.68 13.05 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.356 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.837 HD21 HH21 ' A' ' 72' ' ' ARG . 1.4 m-80 -113.09 32.38 5.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.726 HD11 ' O ' ' B' ' 117' ' ' GLY . 5.0 mp -131.84 137.38 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.526 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -128.51 103.15 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 109.554 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.89 168.29 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 1.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' B' ' 125' ' ' ALA . . . 170.52 174.61 38.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 1.0 109.347 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.526 HG23 ' CB ' ' A' ' 6' ' ' HIS . 1.2 t -135.45 149.17 68.76 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.0 Cg_endo -75.1 -36.45 2.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 1.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.94 72.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.526 ' CB ' HG23 ' A' ' 3' ' ' THR . 2.4 t-160 -66.68 -47.06 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.396 1.06 . . . . 1.0 109.619 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.408 ' SD ' ' HB2' ' A' ' 78' ' ' ALA . 14.4 mtm -51.59 -50.7 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.446 HG23 ' HB ' ' A' ' 71' ' ' VAL . 8.4 m -61.37 -47.22 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -34.61 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.588 HG21 ' HE2' ' A' ' 103' ' ' PHE . 2.8 t -69.23 -40.73 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 109.359 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.795 HG22 ' HZ ' ' A' ' 101' ' ' PHE . 10.7 t -58.16 -46.8 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -62.72 -62.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 1.0 110.35 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -42.18 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.666 ' CE1' HG23 ' A' ' 26' ' ' ILE . 60.9 t80 -61.71 -56.26 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -46.03 -44.62 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.39 -59.51 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.412 ' C ' HD11 ' A' ' 26' ' ' ILE . . . -50.25 -32.09 15.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' A' ' 26' ' ' ILE . 23.5 tp -68.25 -57.25 6.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 65' ' ' VAL . 2.5 t30 -60.31 -16.58 35.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.94 26.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.94 31.99 41.64 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.452 1.095 . . . . 1.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -94.29 59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 0.83 . . . . 1.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.1 mt -40.03 -32.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -69.61 -64.04 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . -47.72 -43.44 22.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 1.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.766 HG22 ' HE2' ' A' ' 30' ' ' PHE . 46.9 mt -65.1 -40.94 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 1.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.1 t -66.97 -21.61 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 1.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.41 -21.53 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -62.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 1.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.766 ' HE2' HG22 ' A' ' 26' ' ' ILE . 27.7 p90 -91.15 -174.37 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -48.51 176.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 48' ' ' THR . 4.6 m-20 -102.75 -17.51 15.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 1.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -116.06 7.45 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.768 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -45.48 168.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 1.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.781 HG22 ' CB ' ' A' ' 46' ' ' SER . 31.1 p -130.63 125.8 34.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.801 HG23 HG12 ' A' ' 51' ' ' ILE . 46.7 t -103.21 143.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 1.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -135.32 52.86 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 1.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -114.03 139.04 23.16 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.506 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.98 -65.78 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.975 -2.51 . . . . 1.0 111.054 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.113 HG21 HG11 ' B' ' 74' ' ' VAL . 1.4 t -139.52 176.52 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 117.0 83.05 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.107 . . . . 1.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 41' ' ' GLY . 20.2 p -27.36 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.5 mt-10 159.38 71.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.05 147.17 33.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.542 1.812 . . . . 1.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.928 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mmt85 -98.94 120.96 40.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 1.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.781 ' CB ' HG22 ' A' ' 35' ' ' THR . 8.6 p -95.58 150.28 20.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 1.0 109.943 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 153.26 27.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 1.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 32' ' ' ASP . 30.4 p -67.75 -22.97 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 1.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -72.58 -57.89 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.928 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -63.23 -41.23 99.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.801 HG12 HG23 ' A' ' 36' ' ' VAL . 58.7 mt -64.94 -67.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -50.05 -31.49 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.3 mm-40 -62.4 -57.48 11.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 1.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CZ ' ' NE ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -56.63 -56.98 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.624 ' CE2' HG11 ' A' ' 36' ' ' VAL . 10.6 m-85 -58.73 -26.2 63.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 1.0 111.062 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -72.7 -55.14 7.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -52.96 -38.71 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.2 m -69.35 -56.41 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -54.71 -19.86 7.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -40.96 -29.05 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.547 1.154 . . . . 1.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.655 HD21 ' H ' ' A' ' 87' ' ' GLU . 9.6 tp -96.41 135.91 22.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.91 58.55 4.86 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.488 1.783 . . . . 1.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.699 HD22 ' CE1' ' A' ' 86' ' ' PHE . 3.5 pp -80.78 -175.68 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.546 ' N ' HD12 ' A' ' 63' ' ' LEU . . . -147.15 106.44 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 63' ' ' LEU . 42.9 t -84.38 155.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 1.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' LEU . 30.5 tt0 -162.47 160.2 25.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -97.65 154.0 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.495 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER -159.78 -48.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.35 -98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 178.57 -178.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.902 HG22 ' CB ' ' A' ' 80' ' ' PHE . 67.1 t -122.27 144.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.427 HH11 ' ND2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -122.86 96.27 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -91.49 136.67 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.529 HG12 ' H ' ' A' ' 75' ' ' ALA . 1.5 t -139.73 -146.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.529 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -48.63 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.269 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' VAL . 66.1 m-80 40.51 29.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.083 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -122.61 159.86 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -150.77 109.01 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 100' ' ' HIS . . . -122.92 111.42 16.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.077 . . . . 1.0 109.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.902 ' CB ' HG22 ' A' ' 71' ' ' VAL . 17.5 p90 -126.0 165.0 19.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -117.36 119.96 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.3 p90 -120.27 169.86 9.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -110.65 154.3 24.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 110.439 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.865 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -135.27 128.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.5 t -108.17 98.0 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.865 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 60.1 m-85 -82.36 159.25 23.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.655 ' H ' HD21 ' A' ' 61' ' ' LEU . 32.7 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 1.0 110.227 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mttm . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.354 -0.609 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 85' ' ' SER . 4.8 m -125.35 153.62 43.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 1.0 110.369 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 94' ' ' VAL . 1.1 t -131.42 105.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 1.0 109.229 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.801 HG22 HG23 ' A' ' 121' ' ' ILE . 46.9 t -104.5 167.02 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.517 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -139.12 71.15 40.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 1.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 156.31 42.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 81' ' ' ALA . 5.3 mt -109.77 116.9 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.41 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -98.82 133.64 42.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.981 ' CE1' HD12 ' A' ' 115' ' ' LEU . 14.8 p-80 -143.66 125.42 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.648 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.795 ' HZ ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -137.52 177.13 8.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 110.992 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.4 120.6 34.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.765 ' CG ' HG22 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -92.83 123.04 35.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 2.9 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 tttm . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.765 HG22 ' CG ' ' A' ' 103' ' ' PHE . 17.2 t -68.78 124.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.768 HG13 ' HA ' ' A' ' 34' ' ' ALA . 48.7 t -118.76 -78.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 1.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.22 130.07 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 1.0 109.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' GLU . 25.3 ttm -150.86 131.75 14.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 100' ' ' HIS . 10.4 ttp-105 -150.78 152.76 34.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 1.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -119.6 170.55 9.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.981 HD12 ' CE1' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -151.39 103.21 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 1.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -116.34 128.32 55.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.06 -173.12 30.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -107.03 16.13 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 1.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.81 28.51 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 96' ' ' ALA . 1.1 m-20 -145.87 36.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 1.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.801 HG23 HG22 ' A' ' 95' ' ' VAL . 6.1 mt -131.06 136.81 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.499 ' N ' ' CD2' ' A' ' 122' ' ' HIS . 1.0 OUTLIER -131.38 89.54 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.58 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.58 152.34 28.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.47 176.95 46.79 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.562 1.163 . . . . 1.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 1.0 109.277 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' B' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.524 0.202 . . . . 1.0 111.028 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.5 86.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.365 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.433 ' CG2' ' SD ' ' B' ' 1' ' ' MET . 10.9 p -127.47 155.32 76.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.67 6.86 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 1.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.04 -49.13 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -69.15 -45.14 70.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 1.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.926 ' HE2' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -54.62 -52.35 62.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 110.952 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -60.03 -48.29 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 1.0 110.45 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.37 -41.4 51.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.522 HG13 HD21 ' B' ' 29' ' ' LEU . 3.2 t -67.05 -42.01 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 1.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.844 HG22 ' CZ ' ' B' ' 101' ' ' PHE . 3.2 t -56.99 -45.47 83.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.6 -43.38 97.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 1.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -35.86 81.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.505 ' HA ' HD13 ' B' ' 29' ' ' LEU . 46.6 t80 -65.69 -49.6 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.49 -60.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.93 -46.92 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 1.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.454 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -59.35 -42.47 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.588 ' HA ' HD11 ' B' ' 26' ' ' ILE . 21.3 tp -58.98 -57.24 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.37 -21.8 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.3 -24.34 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.507 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 79.43 27.38 55.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.521 1.138 . . . . 1.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.55 ' O ' HD12 ' B' ' 26' ' ' ILE . 3.7 t0 -82.57 96.37 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 0.819 . . . . 1.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.457 HD21 HD12 ' B' ' 59' ' ' LEU . 13.8 mt -71.35 -72.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -48.82 -40.4 29.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.55 -64.19 3.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 55.0 mt -45.66 -40.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.585 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 12.6 t -64.37 -39.78 86.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 1.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.94 -15.9 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.522 HD21 HG13 ' B' ' 10' ' ' VAL . 4.2 tt -63.4 -44.63 94.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.806 ' CE1' HG21 ' B' ' 51' ' ' ILE . 3.3 p90 -114.53 -178.71 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 1.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -47.61 173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.849 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -102.82 -10.07 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -120.68 9.43 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' B' ' 109' ' ' VAL . . . -56.45 162.04 2.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 1.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.831 HG22 ' CB ' ' B' ' 46' ' ' SER . 62.2 p -125.52 129.14 49.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 1.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.779 HG23 HG12 ' B' ' 51' ' ' ILE . 44.6 t -105.06 145.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.465 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 8.6 tt0 -128.64 66.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 6.1 p-10 -144.91 134.65 11.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.482 ' HB2' ' H ' ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.04 -144.56 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.012 -2.495 . . . . 1.0 111.003 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.526 HG12 ' H ' ' B' ' 41' ' ' GLY . 17.3 t -103.44 171.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.526 ' H ' HG12 ' B' ' 40' ' ' VAL . . . 111.07 25.87 4.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 1.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p 69.93 178.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 1.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.2 65.14 0.46 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 1.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.652 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -137.27 146.64 44.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.831 ' CB ' HG22 ' B' ' 35' ' ' THR . 53.7 p -144.24 136.31 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.056 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.7 160.55 23.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 1.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.849 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.6 p -67.83 -34.63 77.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 1.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.67 88.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.652 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -74.21 -63.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.806 HG21 ' CE1' ' B' ' 30' ' ' PHE . 84.1 mt -46.69 -38.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 48' ' ' THR . 9.3 ttt-85 -76.93 -35.43 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.43 -40.98 98.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 0.1 OUTLIER -74.99 -51.43 13.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 110.929 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.682 ' O ' HD12 ' B' ' 59' ' ' LEU . 6.9 m-85 -61.48 -25.11 67.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 1.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -81.34 -69.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -44.88 -29.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 44.2 m -83.77 -41.5 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.682 HD12 ' O ' ' B' ' 55' ' ' TYR . 6.0 mt -60.72 -20.17 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -48.78 -24.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.754 HD23 ' HG ' ' B' ' 63' ' ' LEU . 10.2 tp -106.58 140.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' B' ' 61' ' ' LEU . 17.8 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 1.0 110.955 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.754 ' HG ' HD23 ' B' ' 61' ' ' LEU . 13.4 mt -54.45 151.18 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.189 . . . . 1.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' B' ' 85' ' ' SER . . . -113.48 60.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.685 HG22 ' HB ' ' B' ' 84' ' ' VAL . 72.0 t -75.81 145.33 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 179.38 126.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.465 ' HA ' ' CB ' ' B' ' 82' ' ' PHE . 0.4 OUTLIER -66.37 148.29 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.498 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.4 t -172.43 44.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 1.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.475 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 3.6 mt-30 -144.01 -95.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 1.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 63.5 mm-40 -151.01 156.41 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 1.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.938 HG22 ' HB2' ' B' ' 80' ' ' PHE . 44.4 t -129.0 99.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.908 HH21 ' N ' ' B' ' 71' ' ' VAL . 5.5 mmp_? -83.67 100.41 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 1.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.926 ' HB1' ' HE2' ' B' ' 7' ' ' MET . . . -100.66 133.75 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 1.113 HG11 HG21 ' A' ' 40' ' ' VAL . 1.3 t -145.67 -149.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.5 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -45.31 91.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.1 OUTLIER 35.79 34.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 75' ' ' ALA . 1.5 mt-10 -133.08 108.39 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.95 121.44 44.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.426 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -130.65 108.04 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.938 ' HB2' HG22 ' B' ' 71' ' ' VAL . 15.0 p90 -125.38 162.36 24.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.556 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -109.88 135.67 50.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 109.37 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.63 ' CD2' HG13 ' B' ' 65' ' ' VAL . 49.0 p90 -137.85 166.09 24.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -103.83 160.72 14.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.43 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.709 HG13 ' HB ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -144.49 100.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 1.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.58 ' O ' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -90.97 125.8 35.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 1.0 109.957 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.649 ' HB3' HD23 ' B' ' 63' ' ' LEU . 3.7 p90 -139.35 145.34 38.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 35.0 tt0 . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 1.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.382 -0.229 . . . . 1.0 110.382 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -132.62 105.14 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 51.7 m -121.69 158.97 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 1.0 110.386 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.54 HG23 ' CB ' ' B' ' 85' ' ' SER . 0.7 OUTLIER -141.06 117.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.746 HG22 HG12 ' B' ' 121' ' ' ILE . 21.4 t -95.06 169.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.514 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -144.22 68.83 15.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.554 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 162.71 36.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.556 HG12 ' HB2' ' B' ' 81' ' ' ALA . 39.8 mt -113.73 117.4 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 140.77 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 1.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.438 ' NE2' ' OE1' ' B' ' 77' ' ' GLU . 4.2 t-80 -151.99 113.22 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.652 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.844 ' CZ ' HG22 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -133.18 158.29 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 1.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' B' ' 76' ' ' ASN . 0.0 OUTLIER -113.72 129.96 56.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 1.017 ' CB ' HG22 ' B' ' 109' ' ' VAL . 3.1 p90 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 111.041 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 1.017 HG22 ' CB ' ' B' ' 103' ' ' PHE . 7.5 t -106.92 125.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 1.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' B' ' 34' ' ' ALA . 59.7 t -115.62 -12.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' B' ' 113' ' ' ARG . 0.5 OUTLIER -137.7 141.05 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.041 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.434 ' HG2' HG13 ' B' ' 36' ' ' VAL . 9.1 ttm -157.38 141.32 16.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' B' ' 37' ' ' GLU . 0.4 OUTLIER -142.6 169.64 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 1.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' B' ' 38' ' ' ASP . . . -146.04 118.04 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.55 103.95 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' B' ' 116' ' ' PHE . 0.0 OUTLIER -111.76 179.32 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -161.87 178.11 37.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 1.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' B' ' 121' ' ' ILE . 19.6 mp0 -97.29 -16.62 20.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -88.99 14.18 11.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.427 ' ND2' HH11 ' A' ' 72' ' ' ARG . 0.6 OUTLIER -124.35 31.71 5.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.746 HG12 HG22 ' B' ' 95' ' ' VAL . 7.7 mt -126.28 137.13 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.223 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -127.15 104.49 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.639 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.65 148.97 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.84 -179.53 45.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.458 1.099 . . . . 1.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.311 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.445 ' ND2' ' OD1' ' A' ' 76' ' ' ASN . 15.9 m120 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -111.04 156.05 41.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 1.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.485 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 18.5 Cg_endo -75.0 -30.49 7.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 1.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.7 -41.78 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 1.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.76 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.7 t-160 -69.59 -48.12 61.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.547 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.64 -53.85 49.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.428 HG23 ' HB ' ' A' ' 71' ' ' VAL . 10.6 m -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -39.15 78.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 6' ' ' HIS . 74.3 t -62.96 -49.39 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.245 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.613 HG22 ' CD2' ' A' ' 101' ' ' PHE . 25.1 t -56.34 -39.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 1.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 1.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -35.49 79.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 2.7 t80 -66.18 -42.23 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.472 1.108 . . . . 1.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -58.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.15 70.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 1.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.2 -55.79 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.0 -32.6 69.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.0 109.358 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.13 -19.64 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 1.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.29 47.33 36.87 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.532 1.145 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 2.9 t0 -98.03 90.56 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 1.0 109.371 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 27' ' ' VAL . 42.2 mt -67.46 -50.15 60.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.96 -57.09 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.41 -50.32 48.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.605 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 75.7 mt -60.48 -35.87 65.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.509 0.77 . . . . 1.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.824 HG21 ' HG2' ' A' ' 52' ' ' ARG . 40.9 t -70.88 -24.4 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -20.56 25.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.507 HD22 HG13 ' A' ' 10' ' ' VAL . 1.8 mt -53.86 -40.79 66.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.391 1.057 . . . . 1.0 109.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.3 p90 -115.77 179.88 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.637 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -48.68 175.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.656 ' O ' HG22 ' A' ' 48' ' ' THR . 1.0 OUTLIER -98.31 -18.42 18.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -115.5 13.32 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -58.71 165.82 2.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.409 1.068 . . . . 1.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.63 HG22 ' HB2' ' A' ' 46' ' ' SER . 82.5 p -120.62 143.38 48.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.549 1.156 . . . . 1.0 110.435 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.726 HG13 ' HG3' ' A' ' 112' ' ' MET . 2.5 t -125.22 140.9 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.361 1.038 . . . . 1.0 109.232 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.63 94.37 2.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.86 ' HB2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -143.24 136.93 14.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.652 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.02 -82.02 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.938 -2.526 . . . . 1.0 110.992 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.497 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -156.81 156.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 1.0 109.325 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 133.6 -44.77 1.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 1.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 155.91 -178.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 1.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 7.4 tt0 66.97 63.35 0.79 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.0 -169.96 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.715 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 4.9 mmp_? -143.24 155.83 44.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 1.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.63 ' HB2' HG22 ' A' ' 35' ' ' THR . 12.0 p -156.17 136.21 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 1.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 102.19 124.4 5.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 1.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -40.66 -28.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 1.0 110.354 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.22 -57.92 8.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 109.368 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.715 ' HB1' ' HD3' ' A' ' 45' ' ' ARG . . . -64.51 -36.92 85.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.946 HG21 ' CE1' ' A' ' 30' ' ' PHE . 36.5 mt -61.89 -36.65 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.824 ' HG2' HG21 ' A' ' 27' ' ' VAL . 13.1 mmm-85 -68.68 -60.24 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 1.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.86 -31.16 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.718 ' CE2' HG11 ' A' ' 36' ' ' VAL . 2.4 t80 -68.79 -68.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.494 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.3 m-85 -53.33 -27.89 25.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -59.8 3.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -53.38 -33.0 51.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -58.74 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 1.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -56.73 -20.86 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -21.78 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.585 HD23 HD23 ' A' ' 63' ' ' LEU . 11.7 tp -90.33 129.67 44.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 1.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.0 93.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 1.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -137.67 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.29 103.22 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 1.0 109.226 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.8 t -86.15 143.84 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 1.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -163.4 135.64 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 1.0 110.363 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.459 HD21 ' HD1' ' A' ' 80' ' ' PHE . 3.8 mt -69.97 175.5 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 178.4 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.388 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.462 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -72.72 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 1.0 110.271 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.7 176.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.883 HG22 ' CB ' ' A' ' 80' ' ' PHE . 65.1 t -121.92 137.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.719 HH21 ' HA ' ' B' ' 97' ' ' PRO . 1.4 tpt85 -110.17 86.96 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 1.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -94.09 130.68 40.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 1.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.848 HG11 HG21 ' B' ' 40' ' ' VAL . 1.4 t -146.57 -147.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -49.53 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.445 ' OD1' ' ND2' ' A' ' 2' ' ' ASN . 30.7 m-80 37.62 41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.632 ' OE1' HD21 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -134.07 156.68 47.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.801 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -159.56 89.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.479 1.112 . . . . 1.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.684 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -108.19 105.55 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 1.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.883 ' CB ' HG22 ' A' ' 71' ' ' VAL . 35.8 p90 -117.89 155.82 29.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 1.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.699 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -111.4 124.63 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 1.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 48.5 p90 -127.11 167.24 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.459 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -105.42 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 1.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -152.28 122.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 37.1 t -103.34 121.01 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.787 ' CE1' HG23 ' A' ' 95' ' ' VAL . 3.6 p90 -140.72 146.27 37.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 1.0 110.248 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.595 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 40.9 m -153.75 145.25 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 1.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 94' ' ' VAL . 1.9 t -123.7 104.57 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 1.0 109.242 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.787 HG23 ' CE1' ' A' ' 86' ' ' PHE . 92.7 t -93.39 148.62 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 120' ' ' ASN . . . -125.2 72.7 65.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.592 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.02 163.57 35.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.59 1.837 . . . . 1.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.699 HG12 ' HB2' ' A' ' 81' ' ' ALA . 21.7 mt -117.8 120.33 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -92.82 131.47 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.684 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 31.7 m80 -112.1 126.72 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.801 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . 5.7 m-85 -116.88 135.01 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -123.74 108.58 12.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 1.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -83.09 157.2 22.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 109.26 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 7.3 mttm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 103' ' ' PHE . 2.5 t -72.23 121.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 31' ' ' ALA . 49.2 t -120.04 0.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -152.32 139.4 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.054 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.726 ' HG3' HG13 ' A' ' 36' ' ' VAL . 4.6 ptp -153.3 133.16 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 1.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.402 ' NE ' HG13 ' A' ' 40' ' ' VAL . 27.7 ttt180 -132.14 131.66 42.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 1.0 110.249 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.86 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -106.07 123.06 47.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 109.373 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.446 ' HG ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -107.34 134.6 50.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -95.65 -174.73 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 111.039 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.813 ' HA3' HH21 ' B' ' 72' ' ' ARG . . . -145.02 173.72 25.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 1.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -115.54 -34.0 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 1.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.424 ' NZ ' ' H ' ' B' ' 71' ' ' VAL . 18.7 pttm -102.49 15.0 30.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.472 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 53.1 m-80 -113.17 28.17 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 117' ' ' GLY . 2.7 mp -123.09 139.24 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -127.27 96.57 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.17 157.85 16.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.25 -178.42 42.42 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.413 1.07 . . . . 1.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.592 0.819 . . . . 1.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.487 0.184 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.45 ' CG ' ' ND2' ' B' ' 76' ' ' ASN . 0.1 OUTLIER -87.66 91.2 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.373 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.528 HG21 ' CD2' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -141.04 154.17 67.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 110.46 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -25.91 11.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 1.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.5 mt-10 -66.94 -44.83 79.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 1.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.528 ' CD2' HG21 ' B' ' 3' ' ' THR . 8.6 m170 -73.48 -47.1 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 1.0 109.541 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.664 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.1 OUTLIER -57.47 -57.07 14.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 111.006 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.2 m -60.18 -44.06 95.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -58.96 -35.07 72.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 6' ' ' HIS . 2.9 t -66.21 -49.33 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' B' ' 80' ' ' PHE . 7.5 t -53.57 -43.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.66 -54.04 51.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.091 . . . . 1.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -56.51 -37.83 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.714 ' O ' HD23 ' B' ' 18' ' ' LEU . 77.3 t80 -63.79 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.643 HG13 HG12 ' B' ' 65' ' ' VAL . 2.1 t -43.96 -40.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 1.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.98 -60.23 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.683 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -56.04 -28.79 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 1.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.714 HD23 ' O ' ' B' ' 14' ' ' TYR . 4.6 mm? -67.99 -50.29 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -59.44 -32.12 69.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.03 -15.99 32.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.761 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 61.15 42.54 99.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.1 . . . . 1.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.835 ' O ' HD12 ' B' ' 26' ' ' ILE . 4.9 t0 -78.67 119.85 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.904 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.5 OUTLIER -74.57 -75.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.21 -27.93 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -66.96 -67.23 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 1.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.956 HG21 ' CE2' ' B' ' 55' ' ' TYR . 15.7 mt -51.1 -33.03 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 1.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 23' ' ' LEU . 21.7 t -73.98 -31.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -81.94 -13.83 56.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -62.71 -44.72 95.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 2.0 p90 -114.0 -177.09 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.19 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 109.355 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 1.0 ' O ' HG23 ' B' ' 48' ' ' THR . 0.1 OUTLIER -94.26 -16.13 23.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.61 12.44 17.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.17 178.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.708 HG22 ' HB2' ' B' ' 46' ' ' SER . 10.7 p -136.91 133.56 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.798 HG23 HG12 ' B' ' 51' ' ' ILE . 41.8 t -101.92 144.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 6.2 tp10 -144.2 81.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.569 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -150.05 146.45 20.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.569 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -75.1 -68.61 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.987 -2.505 . . . . 1.0 110.987 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.848 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.04 -177.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 1.0 109.221 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.25 5.44 21.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 1.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.99 91.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 0.79 . . . . 1.0 110.072 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 179.93 65.49 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.95 39.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 1.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.631 ' HB2' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -138.5 125.64 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.708 ' HB2' HG22 ' B' ' 35' ' ' THR . 19.8 p -109.74 147.34 33.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.47 141.7 11.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 1.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 1.0 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.9 p -59.49 -20.54 56.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.521 0.777 . . . . 1.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.81 -56.14 7.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' B' ' 45' ' ' ARG . . . -63.85 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.798 HG12 HG23 ' B' ' 36' ' ' VAL . 82.1 mt -65.9 -41.61 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 1.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.89 ' O ' HD11 ' B' ' 23' ' ' LEU . 9.1 mtt85 -64.36 -54.12 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 1.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.84 -29.05 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 1.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.645 ' CE2' HG11 ' B' ' 36' ' ' VAL . 48.8 t80 -70.03 -69.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 1.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.956 ' CE2' HG21 ' B' ' 26' ' ' ILE . 32.1 m-85 -58.85 -23.99 61.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.447 1.092 . . . . 1.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.866 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -69.33 -59.15 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.454 ' ND2' ' N ' ' B' ' 58' ' ' SER . 0.9 OUTLIER -60.86 -36.97 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 1.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.454 ' N ' ' ND2' ' B' ' 57' ' ' ASN . 6.8 t -66.6 -69.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 1.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.761 HD22 ' HA2' ' B' ' 21' ' ' GLY . 17.4 mt -53.26 -20.03 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -39.14 -30.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 1.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.537 HD12 ' HD2' ' B' ' 62' ' ' PRO . 11.0 tp -88.15 139.89 30.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.01 83.88 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.76 . . . . 1.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.59 176.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.91 105.23 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.643 HG12 HG13 ' B' ' 15' ' ' VAL . 4.6 t -79.73 140.68 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -163.66 115.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 1.048 HD12 ' N ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -73.98 146.9 43.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 1.048 ' N ' HD12 ' B' ' 67' ' ' LEU . 0.1 OUTLIER -138.54 -43.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.485 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.9 OUTLIER -57.56 -104.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.224 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.9 -178.77 6.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 1.0 110.331 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.847 HG13 ' HB3' ' B' ' 80' ' ' PHE . 32.7 t -122.86 127.87 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.813 HH21 ' HA3' ' A' ' 117' ' ' GLY . 1.6 ttm180 -102.25 76.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.843 ' O ' HG23 ' B' ' 74' ' ' VAL . . . -86.94 111.5 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 73' ' ' ALA . 2.9 t -164.81 150.12 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 51.73 63.08 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.248 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.45 ' ND2' ' CG ' ' B' ' 2' ' ' ASN . 3.1 m-20 41.14 28.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' B' ' 100' ' ' HIS . 2.4 tt0 -124.27 164.3 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.664 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -149.36 91.84 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.968 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -103.05 93.2 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.847 ' HB3' HG13 ' B' ' 71' ' ' VAL . 23.9 p90 -111.1 150.61 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.485 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -110.25 125.43 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.616 ' CD1' ' CE2' ' B' ' 80' ' ' PHE . 37.9 p90 -131.26 167.59 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 1.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -106.73 152.69 23.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 110.407 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -126.45 116.12 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 1.0 109.228 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.423 ' HA ' HG23 ' B' ' 94' ' ' VAL . 9.9 t -91.79 118.41 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 1.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.718 ' CE1' HG23 ' B' ' 95' ' ' VAL . 0.9 OUTLIER -161.36 146.14 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 1.0 111.058 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 110.336 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.297 -0.26 . . . . 1.0 110.297 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' B' ' 125' ' ' ALA . 29.5 tttt -75.69 154.19 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.605 HG22 ' CG2' ' B' ' 121' ' ' ILE . 3.0 m -153.44 149.35 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -134.9 116.99 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 1.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.718 HG23 ' CE1' ' B' ' 86' ' ' PHE . 17.6 t -96.14 168.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.492 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -142.41 67.42 20.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.719 ' HA ' HH21 ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.04 162.92 36.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 1.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' B' ' 81' ' ' ALA . 7.0 mt -116.9 116.05 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.572 ' CB ' ' CE1' ' B' ' 80' ' ' PHE . 0.4 OUTLIER -90.54 135.03 33.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.968 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 4.7 t-160 -123.97 103.26 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.553 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.662 ' HB2' ' HB3' ' B' ' 78' ' ' ALA . 17.9 m-85 -91.63 149.39 21.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 1.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -134.21 111.24 10.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.757 ' CD1' HG22 ' B' ' 109' ' ' VAL . 3.5 m-30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.757 HG22 ' CD1' ' B' ' 103' ' ' PHE . 3.4 t -67.8 116.58 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.466 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 70.0 t -114.71 -20.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -126.8 127.32 44.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.082 . . . . 1.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.539 ' SD ' HG22 ' B' ' 36' ' ' VAL . 2.1 ptt? -144.78 130.01 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 1.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -134.51 178.06 7.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 1.0 110.293 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.51 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -139.52 172.52 12.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.632 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -153.6 104.08 2.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -119.43 -178.56 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.508 ' N ' HH12 ' A' ' 72' ' ' ARG . . . -163.89 176.32 39.94 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 3.8 tp10 -91.59 11.59 23.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 1.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -118.35 16.99 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.504 ' CG ' ' CZ ' ' A' ' 72' ' ' ARG . 3.2 m120 -131.46 39.06 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.605 ' CG2' HG22 ' B' ' 93' ' ' THR . 2.5 mt -131.63 149.92 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.431 ' HB2' HG12 ' B' ' 94' ' ' VAL . 5.2 m-70 -141.41 111.65 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.662 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.1 164.98 23.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 1.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.36 175.89 43.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 1.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 1.0 109.346 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.59 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -130.0 154.68 81.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.406 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.96 7.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.471 1.774 . . . . 1.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -67.85 -44.31 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.59 ' HB2' HG23 ' A' ' 3' ' ' THR . 14.2 t60 -70.44 -46.14 64.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 1.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.636 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 52.4 mtm -61.17 -61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 HG11 ' A' ' 71' ' ' VAL . 10.1 m -55.06 -40.15 69.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.2 -45.55 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.94 -47.11 92.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.715 HG13 ' CE1' ' A' ' 80' ' ' PHE . 2.9 t -56.24 -47.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -55.6 32.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -52.45 -40.26 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.362 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -66.59 -45.16 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 110.985 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 67' ' ' LEU . 15.7 t -56.34 -51.49 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -61.93 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 1.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -43.01 -39.04 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.72 -57.02 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.8 -16.47 28.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 1.0 109.254 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -27.13 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.265 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . 76.71 45.46 13.0 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.535 ' O ' HD12 ' A' ' 26' ' ' ILE . 78.3 m-20 -92.65 106.2 18.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 0.729 . . . . 1.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.7 mt -77.83 -67.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.34 -35.11 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 1.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -71.16 -68.91 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 1.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.585 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 78.3 mt -42.44 -38.16 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -68.25 -46.73 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -64.37 -15.24 60.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 1.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -54.47 28.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 1.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CE1' HG21 ' A' ' 51' ' ' ILE . 18.3 p90 -105.06 -176.11 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.728 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -49.34 176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.848 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -103.89 -12.99 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 1.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.84 12.62 12.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.823 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -59.05 170.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 46' ' ' SER . 4.8 p -120.87 120.44 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 1.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.741 HG21 HG23 ' A' ' 51' ' ' ILE . 95.0 t -97.02 137.64 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -136.15 63.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -107.52 132.34 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.06 -52.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.02 -2.492 . . . . 1.0 111.005 0.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.984 HG21 HG11 ' B' ' 74' ' ' VAL . 2.5 t -114.51 -173.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.836 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -51.2 -20.12 4.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 23.7 t -53.32 88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 1.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER 81.83 77.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 1.0 110.256 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.0 Cg_endo -75.09 174.29 13.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 1.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.782 ' CD ' ' HB1' ' A' ' 50' ' ' ALA . 4.1 mmt85 -150.58 148.37 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 35' ' ' THR . 33.0 p -142.36 139.77 31.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 109.956 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 153.1 25.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 32' ' ' ASP . 33.3 p -63.72 -11.94 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 1.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.78 -65.16 0.83 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.782 ' HB1' ' CD ' ' A' ' 45' ' ' ARG . . . -69.99 -36.09 74.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.823 HD11 ' O ' ' A' ' 34' ' ' ALA . 92.9 mt -60.37 -52.3 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -65.12 -61.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 14.4 tt0 -46.1 -42.33 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.8 t80 -59.84 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.47 -18.61 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 1.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 53' ' ' GLU . . . -74.7 -67.63 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.224 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -51.96 -33.95 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 1.0 109.396 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.495 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -69.21 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 1.0 110.001 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 61' ' ' LEU . 19.3 mt -54.32 -19.99 6.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.12 . . . . 1.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -40.51 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD21 ' H ' ' A' ' 87' ' ' GLU . 6.1 tp -91.12 127.34 51.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 1.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.5 pp -74.18 -175.71 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.74 103.69 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.28 153.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -169.55 131.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.514 HD12 HG21 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -70.07 154.21 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.534 HG22 ' OG1' ' A' ' 83' ' ' THR . 1.9 t -167.95 29.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 1.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.517 ' NE2' ' CB ' ' A' ' 81' ' ' ALA . 7.5 mt-30 -143.19 -100.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 2.8 mm-40 -158.88 167.04 30.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.909 HG22 ' HB2' ' A' ' 80' ' ' PHE . 89.1 t -126.93 105.48 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 109.208 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' A' ' 78' ' ' ALA . 15.4 mmt-85 -77.26 151.77 34.94 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.544 1.152 . . . . 1.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.636 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -158.26 124.59 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.708 HG12 ' H ' ' A' ' 75' ' ' ALA . 11.5 t -152.85 -132.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.757 ' CB ' HG12 ' B' ' 40' ' ' VAL . . . -36.79 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.597 ' C ' ' O ' ' A' ' 75' ' ' ALA . 1.4 m-20 22.96 50.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.744 ' CD ' HD21 ' B' ' 115' ' ' LEU . 31.8 tt0 -152.47 159.18 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 72' ' ' ARG . . . -145.19 125.05 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 99' ' ' ASP . . . -126.62 106.37 9.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.909 ' HB2' HG22 ' A' ' 71' ' ' VAL . 24.4 p90 -118.96 156.17 30.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' CB ' ' NE2' ' A' ' 69' ' ' GLN . . . -113.18 131.97 55.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 1.0 109.396 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 36.5 p90 -139.03 174.61 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.534 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.79 161.25 15.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 1.0 110.374 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.783 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -142.95 125.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 93' ' ' THR . 4.3 t -106.66 104.01 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.01 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 66.7 m-85 -88.11 160.59 17.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.546 ' H ' HD21 ' A' ' 61' ' ' LEU . 43.7 tt0 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 1.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.341 -0.615 . . . . 1.0 109.341 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 85' ' ' SER . 3.8 m -126.44 159.05 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 1.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -137.07 106.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.666 HG22 HG12 ' A' ' 121' ' ' ILE . 41.7 t -106.07 166.45 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.492 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -138.47 69.98 46.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.534 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 167.09 27.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 1.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.58 HD12 ' HG3' ' B' ' 72' ' ' ARG . 89.3 mt -119.99 115.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.654 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -86.6 142.57 28.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.537 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.1 OUTLIER -142.48 112.23 6.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 1.0 109.54 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -105.13 135.07 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.06 111.06 19.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.936 ' CD1' HG22 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.04 141.66 58.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.033 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 110' ' ' VAL . 1.6 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.936 HG22 ' CD1' ' A' ' 103' ' ' PHE . 3.4 t -73.18 121.69 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.728 HG22 ' HB2' ' A' ' 31' ' ' ALA . 46.1 t -121.49 -2.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 1.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.68 128.79 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.584 ' CE ' ' CE2' ' A' ' 30' ' ' PHE . 4.0 ptm -152.0 126.89 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -150.09 167.5 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 110.302 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -125.96 177.91 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.908 HD22 ' HB2' ' B' ' 79' ' ' ALA . 0.8 OUTLIER -154.98 116.2 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.649 ' CE1' HG21 ' B' ' 74' ' ' VAL . 9.5 p90 -124.55 -172.48 2.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 1.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.71 173.95 39.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.555 1.159 . . . . 1.0 111.023 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.4 20.84 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 1.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -126.12 14.88 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -140.91 39.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 95' ' ' VAL . 10.2 mt -135.43 137.17 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -134.15 91.35 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 1.0 109.647 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.37 151.62 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.407 1.067 . . . . 1.0 109.289 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 125' ' ' ALA . . . 177.14 177.87 46.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.445 1.091 . . . . 1.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 1.0 109.235 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.498 0.19 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 63.7 136.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.612 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -163.91 154.72 13.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 110.397 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -30.86 6.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 1.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 8.8 mm-40 -67.99 -46.19 72.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.0 110.344 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.644 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.2 t60 -69.51 -43.21 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.447 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 52.9 mtm -62.82 -62.85 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.727 HG23 ' HB ' ' B' ' 71' ' ' VAL . 7.9 m -54.23 -39.25 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -66.49 -36.2 82.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 6' ' ' HIS . 3.0 t -64.27 -39.67 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.593 ' O ' HG23 ' B' ' 15' ' ' VAL . 18.4 t -67.81 -44.21 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.85 -51.01 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -60.86 -37.31 81.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 110.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.492 ' HA ' HD13 ' B' ' 29' ' ' LEU . 13.0 t80 -65.17 -46.67 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 11' ' ' VAL . 72.0 t -58.03 -60.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.49 45.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 1.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -52.99 -42.03 65.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.51 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.3 tp -56.06 -53.56 55.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -63.47 -21.8 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.278 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.19 56.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 1.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.86 28.79 73.94 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.53 ' O ' HD12 ' B' ' 26' ' ' ILE . 9.6 t0 -86.56 85.86 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 0.73 . . . . 1.0 109.378 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.593 HD21 HD12 ' B' ' 59' ' ' LEU . 20.9 mt -68.92 -47.21 66.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.07 . . . . 1.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.88 -57.46 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 1.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.94 -59.49 10.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 56.9 mt -41.95 -38.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.587 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 4.8 t -67.51 -49.61 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 1.0 109.396 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -63.63 -12.9 37.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.61 ' CD2' HG13 ' B' ' 10' ' ' VAL . 0.3 OUTLIER -63.05 -43.32 98.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 1.067 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.0 OUTLIER -117.06 -177.49 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -49.63 166.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.6 ' O ' HG22 ' B' ' 48' ' ' THR . 2.8 m-20 -87.23 -22.24 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -111.26 4.83 19.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.96 ' HB1' ' HE1' ' B' ' 112' ' ' MET . . . -41.05 150.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.617 HG22 ' HB2' ' B' ' 46' ' ' SER . 18.7 p -116.52 109.56 17.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 1.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.846 HG22 ' SD ' ' B' ' 112' ' ' MET . 46.3 t -91.86 137.16 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -124.36 71.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 1.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.587 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -134.06 142.24 42.55 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.587 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.6 Cg_endo -74.94 -70.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.03 -2.488 . . . . 1.0 111.03 -0.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.757 HG12 ' CB ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -154.3 150.93 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 155.29 -59.01 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.9 m 150.08 -178.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 0.79 . . . . 1.0 110.043 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 49.11 88.99 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 143.99 30.12 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 1.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.604 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 0.1 OUTLIER -79.45 100.56 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.617 ' HB2' HG22 ' B' ' 35' ' ' THR . 7.3 p -96.82 123.83 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.945 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 50' ' ' ALA . . . 119.39 123.77 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.6 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.1 OUTLIER -41.94 -27.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 1.0 110.412 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -68.62 -48.7 63.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -68.64 -39.65 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 1.067 HG21 ' CE1' ' B' ' 30' ' ' PHE . 81.8 mt -59.04 -59.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.424 ' HB2' HG21 ' B' ' 27' ' ' VAL . 3.4 tmm_? -64.11 -28.77 70.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -57.39 -58.18 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.516 ' CD2' ' NH2' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -65.92 -44.46 85.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 1.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.542 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.4 m-85 -58.08 -31.28 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' B' ' 59' ' ' LEU . . . -79.15 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -45.02 -27.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 56' ' ' ALA . 3.1 t -87.8 -38.76 15.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 1.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.593 HD12 HD21 ' B' ' 23' ' ' LEU . 0.3 OUTLIER -61.08 -21.74 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 1.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -23.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.533 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -104.35 140.41 21.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 57.9 4.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 1.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.685 ' CD2' HG23 ' B' ' 84' ' ' VAL . 2.8 mt -53.54 156.5 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -127.53 66.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.72 HG13 ' CD2' ' B' ' 82' ' ' PHE . 72.1 t -76.66 143.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 83' ' ' THR . 7.1 pt-20 -168.23 135.16 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.707 HD23 ' O ' ' B' ' 81' ' ' ALA . 0.6 OUTLIER -67.43 141.35 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.586 HG23 ' NE2' ' B' ' 69' ' ' GLN . 0.9 OUTLIER -131.64 7.84 4.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 1.0 110.376 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.776 ' HG3' ' HB3' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -141.57 -83.5 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 1.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.638 ' CB ' HH21 ' B' ' 72' ' ' ARG . 0.5 OUTLIER 171.2 -173.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 1.0 110.24 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.933 HG22 ' CB ' ' B' ' 80' ' ' PHE . 79.3 t -113.82 140.34 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.638 HH21 ' CB ' ' B' ' 70' ' ' GLU . 3.0 mmt85 -107.39 81.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.235 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.447 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -83.46 153.46 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 40' ' ' VAL . 2.3 p -175.51 -148.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.802 ' N ' HG13 ' B' ' 74' ' ' VAL . . . -38.67 93.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 1.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.6 OUTLIER 31.97 41.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.573 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 1.1 tt0 -135.36 159.49 41.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' B' ' 101' ' ' PHE . . . -150.6 88.57 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.908 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -100.23 93.61 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.933 ' CB ' HG22 ' B' ' 71' ' ' VAL . 43.2 p90 -108.99 156.8 19.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.776 ' HB3' ' HG3' ' B' ' 69' ' ' GLN . . . -118.34 136.89 53.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.72 ' CD2' HG13 ' B' ' 65' ' ' VAL . 45.9 p90 -145.71 168.92 19.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 1.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.552 HG23 HG21 ' B' ' 68' ' ' THR . 0.1 OUTLIER -105.07 163.04 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 110.379 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.685 HG23 ' CD2' ' B' ' 63' ' ' LEU . 0.4 OUTLIER -142.52 101.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.0 109.336 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.452 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -95.21 125.04 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 3.5 p90 -144.72 137.81 26.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 111.034 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 22.7 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.29 -0.263 . . . . 1.0 110.29 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.931 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 23.3 mtmm -127.94 106.2 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.547 HG23 ' HA ' ' B' ' 123' ' ' ALA . 5.2 m -104.79 145.84 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.447 ' O ' HG13 ' B' ' 94' ' ' VAL . 1.7 p -130.74 116.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 1.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.965 HG22 HG23 ' B' ' 121' ' ' ILE . 46.7 t -103.31 167.27 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.515 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -138.68 70.49 44.36 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.548 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.97 162.28 37.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 1.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 7.5 mt -123.84 123.49 67.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.1 OUTLIER -101.56 140.52 35.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -131.58 99.51 4.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.457 1.098 . . . . 1.0 109.59 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.473 ' HB2' ' HB3' ' B' ' 78' ' ' ALA . 12.6 m-85 -88.02 144.91 26.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -126.1 129.55 49.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 1.0 110.328 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.594 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 10.6 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.594 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 18.9 t -77.59 116.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 1.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.509 ' C ' ' CE ' ' B' ' 112' ' ' MET . 59.5 t -127.93 2.2 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.115 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . 0.515 ' N ' ' CE ' ' B' ' 112' ' ' MET . 0.4 OUTLIER -144.5 116.08 8.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 1.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.96 ' HE1' ' HB1' ' B' ' 34' ' ' ALA . 0.0 OUTLIER -128.03 125.18 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 1.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -124.26 120.7 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.367 1.042 . . . . 1.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -116.73 151.11 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.744 HD21 ' CD ' ' A' ' 77' ' ' GLU . 5.3 mp -134.27 124.82 26.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -143.45 154.34 43.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 1.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.636 ' HA2' HD11 ' B' ' 121' ' ' ILE . . . 90.57 171.96 44.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER 72.29 61.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER 90.22 -20.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 1.0 109.353 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.502 HD21 ' NE ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -69.27 -14.16 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 1.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.965 HG23 HG22 ' B' ' 95' ' ' VAL . 0.4 OUTLIER -92.9 140.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 1.0 109.202 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.405 ' HB2' ' CG1' ' B' ' 94' ' ' VAL . 62.7 m-70 -135.61 88.63 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 109.586 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.547 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -58.67 147.12 33.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' B' ' 92' ' ' LYS . . . -163.31 173.59 39.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 1.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.931 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.663 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -147.99 154.96 43.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.04 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.89 -40.3 96.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.663 ' HB2' HG23 ' A' ' 3' ' ' THR . 4.4 t-160 -72.95 -47.99 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.622 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.751 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.05 -52.37 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 1.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -61.88 -50.61 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 1.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.98 -35.03 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.505 HG13 HD21 ' A' ' 29' ' ' LEU . 3.8 t -65.91 -51.6 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' A' ' 80' ' ' PHE . 2.9 t -49.35 -49.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -43.91 98.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -59.14 -37.95 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.9 -52.44 36.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 1.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.15 -52.14 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 18' ' ' LEU . . . -60.81 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.603 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -42.44 -31.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' ALA . 14.1 tp -68.91 -59.34 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.65 -17.15 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.36 -32.42 24.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.75 32.58 23.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 1.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.675 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.9 m-20 -84.38 94.72 8.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 mt -71.85 -56.9 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -62.43 -41.43 98.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -63.42 -63.51 4.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 22' ' ' ASP . 46.8 mt -47.42 -38.06 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 1.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 23' ' ' LEU . 55.7 t -67.18 -37.91 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -74.05 -17.17 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD21 HG13 ' A' ' 10' ' ' VAL . 6.9 tt -60.47 -46.81 88.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 6.9 p90 -112.49 -176.37 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.664 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -50.54 179.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 1.028 ' O ' HG23 ' A' ' 48' ' ' THR . 4.1 m-20 -104.34 -18.5 14.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.35 32.78 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.664 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -75.73 161.42 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.856 HG22 ' HB3' ' A' ' 46' ' ' SER . 39.2 p -106.24 126.06 51.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 1.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 51' ' ' ILE . 60.8 t -100.07 137.36 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 15.1 mt-10 -132.7 68.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.484 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -115.38 137.58 23.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.01 -44.39 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.014 -2.494 . . . . 1.0 110.941 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.094 ' CG2' HG11 ' B' ' 74' ' ' VAL . 2.4 t -117.44 -174.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 1.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.792 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -51.26 -20.63 5.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.138 . . . . 1.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -41.23 109.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 1.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 41.53 83.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 110.306 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -176.47 2.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 1.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -162.24 -178.52 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 1.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.856 ' HB3' HG22 ' A' ' 35' ' ' THR . 47.7 p -173.21 159.01 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 100.06 122.45 4.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.028 HG23 ' O ' ' A' ' 32' ' ' ASP . 28.7 p -41.7 -27.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 1.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -59.76 -62.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -63.32 -49.19 74.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 1.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.557 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 6.1 mt -49.61 -36.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -71.52 -71.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.85 -31.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.51 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 4.1 m-85 -70.82 -62.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.791 ' O ' HD12 ' A' ' 59' ' ' LEU . 9.4 m-85 -60.99 -14.23 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.63 -67.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' PHE . 6.8 p-10 -56.71 -21.53 28.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.0 m -82.63 -47.56 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 55' ' ' TYR . 9.1 mt -63.11 -22.25 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.37 -21.35 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.13 139.92 21.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.534 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 55.34 3.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 1.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.892 HD21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -81.08 138.56 35.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.853 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -118.29 99.13 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.892 HG23 HD21 ' A' ' 63' ' ' LEU . 3.7 t -98.1 141.01 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -163.65 134.01 4.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 1.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' A' ' 82' ' ' PHE . 1.6 pp -71.07 141.65 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.486 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.7 t -164.01 42.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -143.25 -59.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 110.259 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.823 ' HB3' HH21 ' A' ' 72' ' ' ARG . 0.7 OUTLIER 161.61 160.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.285 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.919 HG22 ' HB2' ' A' ' 80' ' ' PHE . 61.9 t -129.82 116.67 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.823 HH21 ' HB3' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -103.25 107.15 17.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.751 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -100.43 126.56 46.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.51 HG22 ' CA ' ' B' ' 117' ' ' GLY . 0.9 OUTLIER -128.19 -146.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -49.59 97.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 39.51 30.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.538 ' OE1' HD21 ' B' ' 115' ' ' LEU . 6.6 mt-10 -123.88 157.76 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -152.32 101.14 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 99' ' ' ASP . . . -111.65 105.68 14.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.919 ' HB2' HG22 ' A' ' 71' ' ' VAL . 38.4 p90 -121.07 161.75 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.484 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -114.53 130.79 56.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.675 ' CD2' HG13 ' A' ' 65' ' ' VAL . 51.2 p90 -136.7 167.78 20.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.486 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -102.6 158.77 16.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.413 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.683 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -140.3 105.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 t -97.18 132.74 42.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.952 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 7.5 p90 -156.84 147.7 21.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.283 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.736 ' NZ ' ' HB2' ' A' ' 125' ' ' ALA . 4.4 ptpp? . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.569 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 26.1 m -125.49 144.79 50.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -128.88 114.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.749 HG22 HG23 ' A' ' 121' ' ' ILE . 15.5 t -95.94 168.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.476 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -142.54 66.66 18.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.575 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.95 169.7 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.435 HG21 ' CZ ' ' B' ' 72' ' ' ARG . 4.2 mt -121.78 118.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 1.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -91.1 148.37 22.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.56 118.71 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.584 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -107.57 140.01 41.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -126.05 100.07 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.705 ' CE1' HG23 ' A' ' 109' ' ' VAL . 2.8 m-85 -72.52 146.02 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.7 m120 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.705 HG23 ' CE1' ' A' ' 103' ' ' PHE . 19.7 t -65.92 120.62 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 31' ' ' ALA . 66.4 t -127.82 4.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.81 130.06 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 1.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.424 ' SD ' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -145.48 143.0 29.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 110.965 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.477 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 43.9 ttp180 -148.88 147.08 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -116.02 178.76 4.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.879 HD21 ' OE2' ' B' ' 77' ' ' GLU . 1.0 OUTLIER -151.05 113.39 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 3.8 p90 -124.16 124.09 41.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.432 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -94.84 -175.65 38.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 1.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.04 2.27 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 1.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HE2' ' CG ' ' B' ' 70' ' ' GLU . 0.0 OUTLIER -116.49 12.39 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -114.62 26.06 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.749 HG23 HG22 ' A' ' 95' ' ' VAL . 1.7 mp -123.5 137.94 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -129.82 99.79 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.85 156.54 20.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 125' ' ' ALA . . . -170.38 172.75 44.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.736 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.48 0.181 . . . . 1.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 m120 55.98 177.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -104.52 155.47 37.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 1.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.17 8.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.449 1.763 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -44.7 68.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.748 ' O ' HG23 ' B' ' 10' ' ' VAL . 85.0 t60 -69.51 -46.01 67.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 1.0 109.599 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.802 ' HE2' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -60.04 -59.54 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.963 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.572 HG23 ' HB ' ' B' ' 71' ' ' VAL . 23.7 m -54.69 -42.33 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 6' ' ' HIS . 24.8 t -58.69 -42.32 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.668 HG11 ' CD1' ' B' ' 80' ' ' PHE . 7.0 t -64.27 -45.84 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -41.14 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.45 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 5.3 t80 -58.24 -53.38 58.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.14 -56.15 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.99 -44.56 15.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.11 92.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.879 HD12 HD11 ' B' ' 59' ' ' LEU . 27.0 tp -57.15 -47.55 80.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -62.78 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.06 -14.02 62.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 1.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 77.37 21.56 72.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.628 ' O ' HD12 ' B' ' 26' ' ' ILE . 1.9 m-20 -68.86 73.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.729 ' CD1' ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -59.08 -46.9 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 1.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.47 -63.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.89 -35.18 4.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.628 HD12 ' O ' ' B' ' 22' ' ' ASP . 38.1 mt -72.4 -43.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.562 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 25.1 t -68.43 -15.41 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.83 -24.48 14.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -51.48 -53.4 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 24.0 p90 -100.05 -174.0 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 1.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -50.77 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.797 ' O ' HG23 ' B' ' 48' ' ' THR . 1.5 m-20 -109.7 -11.79 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -122.52 15.35 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.07 167.39 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.559 HG22 ' CB ' ' B' ' 46' ' ' SER . 73.2 p -122.94 129.57 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.737 HG23 ' CD1' ' B' ' 51' ' ' ILE . 38.7 t -105.04 148.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 2.6 mt-10 -132.98 61.97 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.49 ' CB ' ' HB3' ' B' ' 114' ' ' ALA . 38.1 t0 -141.15 129.58 12.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.0 -143.7 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.973 -2.511 . . . . 1.0 111.006 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' B' ' 114' ' ' ALA . 6.6 t -116.34 150.87 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 176.96 -66.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 1.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.66 54.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 1.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.83 86.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.2 OUTLIER -138.44 154.34 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 110.254 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.559 ' CB ' HG22 ' B' ' 35' ' ' THR . 60.2 p -143.5 132.76 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.83 147.68 16.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.797 HG23 ' O ' ' B' ' 32' ' ' ASP . 30.2 p -62.69 -12.91 26.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 1.0 110.421 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.0 62.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.737 ' CD1' HG23 ' B' ' 36' ' ' VAL . 4.1 mt -52.64 -52.32 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.532 ' HG3' HD12 ' B' ' 23' ' ' LEU . 50.3 ttm-85 -66.09 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 26.6 mt-10 -41.52 -30.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -75.33 -66.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -47.15 -45.82 22.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.729 ' HB2' ' CD1' ' B' ' 23' ' ' LEU . . . -65.93 -50.57 63.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 10.2 t30 -50.95 -27.54 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -55.62 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.879 HD11 HD12 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -53.66 -19.75 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -39.58 -29.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.548 HD23 ' HD2' ' B' ' 86' ' ' PHE . 15.7 tp -94.24 136.99 22.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.1 Cg_endo -75.04 55.69 4.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 1.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.906 HD23 ' CE2' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.51 -175.82 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 1.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.67 103.45 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 1.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 1.002 ' CG2' HG12 ' B' ' 84' ' ' VAL . 61.9 t -91.3 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.431 ' OE2' ' N ' ' B' ' 67' ' ' LEU . 12.1 tp10 -161.88 136.74 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' ' OE2' ' B' ' 66' ' ' GLU . 11.8 mt -71.22 159.58 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' B' ' 68' ' ' THR . 1.3 t 179.68 35.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 110.43 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.506 ' CB ' ' HB3' ' B' ' 81' ' ' ALA . 0.3 OUTLIER -144.49 -92.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.457 ' CG ' ' HE2' ' A' ' 119' ' ' LYS . 2.8 tm-20 -172.65 169.12 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' VAL . . . . . 0.939 HG22 ' CB ' ' B' ' 80' ' ' PHE . 60.8 t -135.42 93.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.759 ' NE ' ' HB3' ' B' ' 79' ' ' ALA . 1.5 ptp180 -76.23 153.62 35.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.802 ' HB1' ' HE2' ' B' ' 7' ' ' MET . . . -148.87 135.19 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 1.094 HG11 ' CG2' ' A' ' 40' ' ' VAL . 1.8 t -152.64 -139.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.602 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -35.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ASN . . . . . 0.602 ' C ' ' O ' ' B' ' 75' ' ' ALA . 4.5 t-20 23.96 52.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.879 ' OE2' HD21 ' A' ' 115' ' ' LEU . 6.6 pt-20 -152.32 154.63 36.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' B' ' 72' ' ' ARG . . . -145.3 131.51 19.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.759 ' HB3' ' NE ' ' B' ' 72' ' ' ARG . . . -131.38 120.85 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.939 ' CB ' HG22 ' B' ' 71' ' ' VAL . 28.0 p90 -127.59 158.97 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' B' ' 69' ' ' GLN . . . -117.48 128.78 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.426 ' HD2' HG13 ' B' ' 65' ' ' VAL . 35.4 p90 -135.15 173.47 11.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.493 ' O ' HG13 ' B' ' 65' ' ' VAL . 0.0 OUTLIER -110.23 158.9 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 1.002 HG12 ' CG2' ' B' ' 65' ' ' VAL . 2.2 m -143.61 113.84 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 15.0 m -98.07 123.8 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.906 ' CE2' HD23 ' B' ' 63' ' ' LEU . 21.5 m-85 -118.03 168.88 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.477 ' O ' HD11 ' B' ' 61' ' ' LEU . 24.7 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 1.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.288 -0.264 . . . . 1.0 110.288 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' B' ' 86' ' ' PHE . 6.5 tttt -156.15 146.36 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' B' ' 85' ' ' SER . 43.9 m -138.29 163.64 31.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 1.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.763 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.9 t -145.34 85.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.932 HG12 ' HD3' ' B' ' 97' ' ' PRO . 39.7 t -87.17 144.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -123.38 71.6 46.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' PRO . . . . . 0.932 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.4 Cg_endo -75.02 164.2 33.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' B' ' 81' ' ' ALA . 4.8 mt -123.3 114.17 40.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.617 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -81.92 150.77 27.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 1.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -149.27 95.19 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.636 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' B' ' 112' ' ' MET . 7.4 m-30 -91.22 153.68 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.461 ' CZ ' ' HD2' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -126.24 112.98 16.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.699 ' CD2' HG22 ' B' ' 109' ' ' VAL . 6.0 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.699 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -71.29 118.41 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.573 ' O ' HG12 ' B' ' 110' ' ' VAL . 38.9 t -128.32 5.41 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.2 p -162.11 150.86 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.56 ' HB2' ' CD1' ' B' ' 101' ' ' PHE . 3.3 ptp -170.04 146.69 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 1.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.469 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.8 OUTLIER -129.3 166.74 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 110.255 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . 0.491 ' O ' ' CG2' ' B' ' 40' ' ' VAL . . . -132.14 104.23 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.538 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -79.45 92.72 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' B' ' 116' ' ' PHE . 0.5 OUTLIER -112.75 79.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.51 ' CA ' HG22 ' A' ' 74' ' ' VAL . . . -68.12 -173.97 7.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.484 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -114.94 58.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 1.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' B' ' 120' ' ' ASN . 3.3 ttmm -157.24 33.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.632 ' H ' HD12 ' B' ' 121' ' ' ILE . 4.0 m-80 -158.91 29.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.866 HG23 HG22 ' B' ' 95' ' ' VAL . 4.2 mp -109.96 137.09 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' HIS . . . . . 0.49 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 1.2 m-70 -124.58 91.17 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.26 152.21 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.78 179.61 48.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.46 1.1 . . . . 1.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 1.0 109.298 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.541 0.21 . . . . 1.0 111.066 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 76' ' ' ASN . 0.4 OUTLIER 62.44 130.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 1.0 109.366 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.0 p -100.01 155.07 36.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 1.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -27.42 10.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 9.8 pt-20 -68.52 -46.08 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 110.356 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -70.27 -48.99 54.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.744 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 65.3 mtm -60.4 -60.29 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 36.7 m -54.19 -42.73 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 1.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.62 -41.07 80.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.58 HG13 HD21 ' A' ' 29' ' ' LEU . 2.8 t -62.46 -46.72 95.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.498 HG22 ' CE1' ' A' ' 80' ' ' PHE . 3.4 t -57.85 -40.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.8 -58.82 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 1.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -53.01 -34.66 57.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.26 -47.03 71.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.14 -50.14 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.092 . . . . 1.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.73 29.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -40.1 57.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.648 ' HA ' HD11 ' A' ' 26' ' ' ILE . 12.0 tp -58.23 -55.23 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -60.79 -21.9 63.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.21 36.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.32 19.31 66.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.13 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.657 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -77.79 94.16 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 1.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -75.62 -50.83 14.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 1.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.73 -55.71 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -57.31 20.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 22' ' ' ASP . 48.3 mt -46.24 -39.14 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.433 0.725 . . . . 1.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.835 HG13 HG22 ' A' ' 48' ' ' THR . 3.4 t -65.86 -44.25 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 1.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -16.86 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.58 HD21 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -57.8 -43.03 85.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.958 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.2 p90 -116.5 -176.09 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -50.18 178.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.597 ' HA ' HG23 ' A' ' 48' ' ' THR . 2.1 p-10 -105.01 -17.85 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -117.91 25.43 10.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -74.7 170.06 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.817 HG22 ' CB ' ' A' ' 46' ' ' SER . 41.6 p -125.46 125.88 44.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 110.405 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.811 HG23 HG12 ' A' ' 51' ' ' ILE . 24.0 t -107.85 148.01 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.0 109.239 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.76 102.57 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.603 ' O ' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -143.0 121.83 7.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.545 ' HB2' ' CD1' ' A' ' 116' ' ' PHE . 18.2 Cg_endo -74.98 -84.3 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.978 -2.509 . . . . 1.0 110.999 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.699 HG12 ' HB2' ' B' ' 75' ' ' ALA . 0.6 OUTLIER -142.9 145.12 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.53 25.56 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.473 ' CB ' ' HD2' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -112.61 49.88 0.9 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.533 0.784 . . . . 1.0 110.005 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 59.33 95.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 143.9 29.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 1.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.625 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -101.73 160.1 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.384 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.817 ' CB ' HG22 ' A' ' 35' ' ' THR . 87.7 p -147.9 136.31 21.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 110.03 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . 96.17 134.39 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 1.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.835 HG22 HG13 ' A' ' 27' ' ' VAL . 8.6 p -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 1.0 110.414 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -66.83 -55.33 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 109.368 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -67.62 -54.48 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.958 HG21 ' CE1' ' A' ' 30' ' ' PHE . 98.8 mt -44.84 -45.4 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 1.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -68.42 -41.18 80.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.22 -48.38 73.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 38' ' ' ASP . 0.1 OUTLIER -69.09 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.7 ' O ' HD12 ' A' ' 59' ' ' LEU . 5.8 m-85 -42.91 -30.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -75.47 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 1.0 109.219 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -54.3 -20.33 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 1.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -59.42 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.3 mt -56.51 -19.01 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -45.19 -26.63 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.609 HD12 ' HD2' ' A' ' 62' ' ' PRO . 12.2 tp -99.57 133.51 21.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.07 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -131.38 167.42 19.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.09 113.01 10.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 1.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' A' ' 82' ' ' PHE . 13.5 t -86.35 149.06 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' OG1' ' A' ' 83' ' ' THR . 8.2 pt-20 -157.59 143.08 17.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 1.0 110.247 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 67' ' ' LEU . 17.1 mt -73.32 139.22 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.626 HG21 HG23 ' A' ' 83' ' ' THR . 3.5 t -141.16 14.15 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.697 ' HG3' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -148.16 -88.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 110.29 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' OE2' ' CD ' ' B' ' 119' ' ' LYS . 0.0 OUTLIER 173.46 -174.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.362 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.917 HG22 ' CB ' ' A' ' 80' ' ' PHE . 73.9 t -115.43 148.19 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.967 ' HD2' HD12 ' B' ' 98' ' ' ILE . 0.1 OUTLIER -112.99 79.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 110.336 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.744 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -88.64 133.04 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.852 HG11 HG21 ' B' ' 40' ' ' VAL . 1.5 t -148.62 -147.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 1.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.534 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -50.46 100.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 2' ' ' ASN . 1.5 t-20 37.54 34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 75' ' ' ALA . 13.7 mt-10 -127.77 154.24 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.382 1.052 . . . . 1.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.08 88.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 72' ' ' ARG . . . -108.22 100.55 9.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.917 ' CB ' HG22 ' A' ' 71' ' ' VAL . 53.3 p90 -112.38 162.97 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.697 ' HB3' ' HG3' ' A' ' 69' ' ' GLN . . . -120.08 129.39 54.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CD1' HG13 ' A' ' 65' ' ' VAL . 47.8 p90 -136.11 162.74 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.626 HG23 HG21 ' A' ' 68' ' ' THR . 0.1 OUTLIER -102.63 156.11 17.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 1.0 110.395 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -130.93 116.95 35.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 1.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.66 120.58 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 1.0 110.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.748 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.5 p90 -153.22 138.54 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 1.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -133.88 132.33 40.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.521 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 2.5 p90 -146.5 147.82 31.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 1.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 54.4 50.17 16.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 1.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.93 26.67 19.3 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 1.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -128.93 113.32 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 1.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.486 ' C ' ' HG1' ' A' ' 93' ' ' THR . 0.0 OUTLIER -85.81 149.02 25.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.58 1.175 . . . . 1.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.602 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 88.3 m -156.15 145.24 20.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 110.412 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -132.48 117.79 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.748 HG23 ' CE1' ' A' ' 86' ' ' PHE . 4.9 t -98.04 165.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.237 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.633 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -143.42 64.67 14.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 96' ' ' ALA . 18.1 Cg_endo -75.07 163.06 35.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 1.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.611 HD12 ' HG3' ' B' ' 72' ' ' ARG . 5.5 mt -115.86 119.07 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -88.3 123.03 32.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 1.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -114.21 105.78 13.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 109.574 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -111.44 133.28 53.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.479 ' HG3' ' CB ' ' A' ' 111' ' ' SER . 4.7 ptm180 -115.15 117.28 30.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CE2' HG22 ' A' ' 109' ' ' VAL . 6.5 m-85 -89.13 147.23 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.621 HD21 HG21 ' A' ' 110' ' ' VAL . 39.9 p-10 -135.28 175.14 9.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.75 -56.24 1.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.459 1.1 . . . . 1.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' O ' ' ND2' ' A' ' 2' ' ' ASN . . . -174.88 -39.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 1.0 109.301 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.43 37.41 0.15 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 1.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.36 115.29 24.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 1.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.552 HG22 ' CE2' ' A' ' 103' ' ' PHE . 2.2 t -74.52 120.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 1.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 104' ' ' ASN . 77.7 t -117.76 -5.82 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -142.06 131.96 24.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 110.039 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.626 ' SD ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -143.0 117.35 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 110.957 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.5 ttm105 -132.97 130.76 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.206 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.85 172.32 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' B' ' 79' ' ' ALA . 0.4 OUTLIER -144.56 104.74 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -123.55 129.58 51.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.049 . . . . 1.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -104.97 175.08 21.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -37.02 64.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 1.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 12.5 12.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.633 ' OD1' ' HB3' ' A' ' 96' ' ' ALA . 12.2 t-20 -97.79 10.2 40.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.745 HG13 HG13 ' A' ' 95' ' ' VAL . 4.4 mt -124.76 146.64 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -133.37 102.4 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 109.653 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.68 168.36 18.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.5 -178.66 40.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 1.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.577 0.81 . . . . 1.0 109.262 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.406 0.146 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 p30 167.25 124.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 1.0 109.259 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.92 154.7 40.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 1.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.59 14.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 1.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -55.93 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.359 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -68.05 -42.41 80.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 1.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.586 ' HG2' ' CZ ' ' B' ' 103' ' ' PHE . 12.2 mtm -57.95 -51.61 68.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 1.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 78.5 m -58.58 -49.98 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 1.0 110.415 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.64 -46.14 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 t -59.17 -46.48 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.616 1.198 . . . . 1.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.758 HG21 ' HB1' ' B' ' 78' ' ' ALA . 7.4 t -54.2 -42.12 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.77 -48.57 81.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -42.63 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.454 ' HH ' ' HH ' ' B' ' 55' ' ' TYR . 80.6 t80 -60.69 -50.86 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.22 -52.8 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.68 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 1.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' B' ' 26' ' ' ILE . . . -62.97 -28.28 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.716 ' HA ' HD11 ' B' ' 26' ' ' ILE . 25.9 tp -72.59 -56.68 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 1.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -53.95 -49.27 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.562 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -58.23 -26.63 63.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.467 ' CA ' HD22 ' B' ' 59' ' ' LEU . . . 68.7 50.87 33.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 1.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.562 ' OD2' ' HB3' ' B' ' 20' ' ' ALA . 1.4 p-10 -109.46 97.05 6.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 27' ' ' VAL . 5.7 mt -64.78 -45.46 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -45.05 73.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.97 -65.44 2.7 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 1.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' B' ' 18' ' ' LEU . 60.2 mt -43.55 -37.67 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 23' ' ' LEU . 37.4 t -68.38 -44.39 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -68.84 -12.81 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 1.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.6 tt -72.4 -66.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 1.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.66 ' CZ ' HG21 ' B' ' 51' ' ' ILE . 49.4 p90 -87.01 174.51 8.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.64 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -47.07 172.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.698 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -100.14 -13.22 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -121.42 17.45 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.98 179.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.631 HG22 ' CB ' ' B' ' 46' ' ' SER . 48.9 p -133.29 124.35 27.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 1.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.65 HG23 HG12 ' B' ' 51' ' ' ILE . 65.1 t -97.73 138.28 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 35.6 tt0 -139.63 67.8 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 1.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' B' ' 54' ' ' PHE . 0.0 OUTLIER -140.09 141.8 28.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 1.0 109.349 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.536 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.0 Cg_endo -75.05 -66.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.015 -2.494 . . . . 1.0 110.947 0.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.852 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -157.46 -175.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 1.0 109.24 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.88 2.7 8.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 1.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.05 72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 0.736 . . . . 1.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -168.98 64.0 0.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.0 144.17 29.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 1.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.483 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 10.0 mtt180 -117.37 141.73 47.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.631 ' CB ' HG22 ' B' ' 35' ' ' THR . 17.6 p -116.23 148.49 40.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 1.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.4 148.04 23.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 1.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.698 HG23 ' O ' ' B' ' 32' ' ' ASP . 30.2 p -64.66 -17.24 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 1.0 110.358 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.485 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.58 -61.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.483 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -67.12 -37.2 83.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.66 HG21 ' CZ ' ' B' ' 30' ' ' PHE . 28.0 mt -62.62 -65.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' B' ' 48' ' ' THR . 0.0 OUTLIER -53.8 -44.19 69.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 6.4 mm-40 -50.9 -49.14 60.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 1.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' B' ' 38' ' ' ASP . 15.5 t80 -68.81 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.576 ' O ' HD12 ' B' ' 59' ' ' LEU . 0.9 OUTLIER -42.45 -28.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 110.999 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.94 -56.3 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 10.2 t-20 -55.24 -23.1 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 23.4 t -81.17 -58.87 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.576 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.9 OUTLIER -56.49 -18.77 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -45.17 -26.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' B' ' 59' ' ' LEU . 10.9 tp -90.19 132.37 36.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.1 Cg_endo -75.01 75.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.396 1.735 . . . . 1.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.519 ' O ' HD12 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.21 170.27 8.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 1.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.11 105.92 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' B' ' 82' ' ' PHE . 4.2 t -82.76 142.37 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 1.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -161.14 141.2 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.255 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.406 HD23 ' O ' ' B' ' 81' ' ' ALA . 0.2 OUTLIER -70.14 152.73 43.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -154.76 22.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 110.34 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.772 ' HG3' ' HB3' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -147.99 -86.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.366 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.424 ' HB3' ' NH2' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -179.22 -177.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.92 HG22 ' CB ' ' B' ' 80' ' ' PHE . 70.4 t -123.66 139.1 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.611 ' HG3' HD12 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -110.84 83.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 1.0 110.331 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.54 ' HB1' ' HE3' ' B' ' 7' ' ' MET . . . -83.63 101.9 11.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 2.5 t -152.56 158.85 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.25 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.699 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . 55.06 55.16 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 1.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 75' ' ' ALA . 20.7 p30 38.95 30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' B' ' 74' ' ' VAL . 6.0 pt-20 -145.54 140.56 27.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.758 ' HB1' HG21 ' B' ' 11' ' ' VAL . . . -98.63 124.53 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.683 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -128.07 88.79 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.92 ' CB ' HG22 ' B' ' 71' ' ' VAL . 38.6 p90 -110.78 172.7 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.772 ' HB3' ' HG3' ' B' ' 69' ' ' GLN . . . -124.65 132.01 53.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.662 ' HD2' HG13 ' B' ' 65' ' ' VAL . 38.6 p90 -136.88 169.96 16.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 1.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -113.8 165.38 12.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 1.0 110.399 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -137.61 114.79 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 1.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -88.67 126.97 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.932 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.831 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.2 p90 -158.47 136.55 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 1.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.46 150.23 27.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' B' ' 89' ' ' GLN . 0.4 OUTLIER -110.28 75.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.0 111.061 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' B' ' 88' ' ' TYR . 5.1 pm0 35.33 80.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.83 -28.24 15.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 -97.26 164.74 12.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 1.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -133.15 143.12 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 26.0 m -155.73 143.16 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.351 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.407 HG13 ' ND1' ' B' ' 122' ' ' HIS . 1.4 p -135.93 120.05 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.831 HG23 ' CE1' ' B' ' 86' ' ' PHE . 20.5 t -97.57 162.69 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' B' ' 83' ' ' THR . . . -138.82 68.87 43.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.521 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 1.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.967 HD12 ' HD2' ' A' ' 72' ' ' ARG . 1.3 mt -113.33 124.35 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 0.3 OUTLIER -96.09 118.57 32.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' B' ' 100' ' ' HIS . 0.2 OUTLIER -135.05 115.21 13.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.717 ' HZ ' HG22 ' B' ' 11' ' ' VAL . 4.3 p90 -146.63 158.38 43.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.668 ' O ' HG13 ' B' ' 109' ' ' VAL . 4.0 mtm105 -107.04 151.67 25.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 110.216 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.718 ' CB ' HG22 ' B' ' 109' ' ' VAL . 3.2 p90 -169.47 170.07 8.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' B' ' 108' ' ' LYS . 2.4 t30 -94.39 137.36 33.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 1.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.75 ' O ' ' HB2' ' B' ' 106' ' ' ALA . . . -42.91 97.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 1.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' B' ' 105' ' ' GLY . . . 151.23 -20.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 0.733 . . . . 1.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.05 25.74 4.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 1.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -87.79 73.15 9.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 0.737 . . . . 1.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.718 HG22 ' CB ' ' B' ' 103' ' ' PHE . 1.8 t -90.82 124.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.637 HG22 ' HB2' ' B' ' 31' ' ' ALA . 59.7 t -118.82 -8.45 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -149.37 133.73 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 110.074 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.489 ' CB ' ' HB3' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -147.74 146.73 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 1.0 111.031 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' B' ' 114' ' ' ALA . 0.6 OUTLIER -152.82 140.01 19.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 1.0 110.226 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.502 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -109.04 168.33 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.54 107.9 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 1.0 109.235 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' B' ' 117' ' ' GLY . 0.1 OUTLIER -124.05 -175.45 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 111.014 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' B' ' 116' ' ' PHE . . . -178.49 179.61 48.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.886 ' HA ' HD12 ' B' ' 121' ' ' ILE . 16.9 pt-20 -67.94 -42.98 80.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 1.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 1.4 mttp -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 1.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.484 ' OD1' ' CZ ' ' A' ' 72' ' ' ARG . 37.4 m-80 -73.23 -15.2 61.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' B' ' 118' ' ' GLU . 7.2 mt -95.69 134.72 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 1.0 109.249 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.0 OUTLIER -127.88 94.62 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 1.0 109.571 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.38 172.66 5.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 162.65 179.15 37.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.986 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 1.0 109.29 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.681 ' O ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.532 0.206 . . . . 1.0 111.0 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' ALA . 64.6 t-20 -65.15 97.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.681 HG22 ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -157.6 154.82 26.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 1.0 110.422 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.93 3.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.459 1.768 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.1 -43.09 96.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 1.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.622 ' HB2' HG23 ' A' ' 3' ' ' THR . 1.6 t60 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -59.32 -52.19 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 1.0 110.961 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 1.028 HG23 HG11 ' A' ' 71' ' ' VAL . 20.5 m -66.92 -50.43 62.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.32 -50.23 40.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 109.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' ARG . 7.9 t -56.67 -59.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.767 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.1 t -42.17 -38.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -45.5 77.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -61.33 -43.12 99.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 110.288 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' OH ' ' CZ ' ' A' ' 55' ' ' TYR . 17.7 t80 -59.64 -59.53 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 1.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.746 HG11 ' H ' ' A' ' 67' ' ' LEU . 8.7 t -48.46 -49.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.58 -51.12 58.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.391 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -37.11 76.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HA ' HD11 ' A' ' 26' ' ' ILE . 4.4 tp -60.73 -51.39 69.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.68 -31.14 70.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 1.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.49 -10.75 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.547 ' HA2' HD21 ' A' ' 59' ' ' LEU . . . 66.44 49.68 54.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.546 1.154 . . . . 1.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.573 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.2 m-20 -92.73 93.67 8.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 1.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.813 HD11 ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -69.14 -66.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.51 -34.76 76.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 1.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.51 3.6 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.467 1.104 . . . . 1.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.682 HG22 ' HE2' ' A' ' 30' ' ' PHE . 38.3 mt -52.33 -35.63 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 23' ' ' LEU . 69.2 t -70.73 -30.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.6 -17.68 47.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.78 -68.2 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.369 1.043 . . . . 1.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.682 ' HE2' HG22 ' A' ' 26' ' ' ILE . 40.5 p90 -85.01 -175.52 5.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -47.87 173.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 1.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 1.021 ' O ' HG23 ' A' ' 48' ' ' THR . 0.6 OUTLIER -104.63 -14.47 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -119.52 14.35 12.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 1.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -57.44 179.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 46' ' ' SER . 29.8 p -129.7 122.41 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 1.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.793 HG23 HG12 ' A' ' 51' ' ' ILE . 21.8 t -103.92 137.87 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -133.73 111.67 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.585 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.08 143.45 9.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 1.0 109.28 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.585 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.94 -70.62 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.036 -2.485 . . . . 1.0 111.012 -0.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.631 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -157.35 154.14 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.603 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 139.62 -50.41 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 3.2 p 149.69 -177.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 1.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.36 79.21 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.77 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -142.12 101.66 3.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 1.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' HG22 ' A' ' 35' ' ' THR . 7.3 p -97.69 140.98 31.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.991 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.95 148.59 23.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.021 HG23 ' O ' ' A' ' 32' ' ' ASP . 2.3 p -63.18 -17.4 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 1.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.88 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.31 97.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 36' ' ' VAL . 96.8 mt -58.45 -59.38 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 1.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.813 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -49.46 -47.16 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 1.2 tp10 -64.76 -27.45 68.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 1.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.78 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.948 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.469 ' CZ ' ' OH ' ' A' ' 14' ' ' TYR . 25.7 m-85 -60.3 -29.01 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.555 ' HA ' HD21 ' A' ' 23' ' ' LEU . . . -68.02 -70.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 1.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.501 ' ND2' ' N ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -46.45 -42.41 15.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.501 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 17.6 t -61.96 -49.73 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 1.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.591 HD12 ' CD2' ' A' ' 23' ' ' LEU . 1.3 mt -58.63 -23.77 59.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 10.8 ttmt -43.38 -26.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.393 1.058 . . . . 1.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' A' ' 62' ' ' PRO . 9.4 tp -92.86 140.46 23.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.96 54.32 3.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.611 1.848 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.955 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -98.22 131.99 44.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 1.0 109.376 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.734 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -107.21 103.43 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.688 HG23 HD21 ' A' ' 63' ' ' LEU . 2.1 t -95.1 144.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 3.4 tt0 -158.3 137.99 12.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 1.0 110.384 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 68' ' ' THR . 6.2 tt -61.14 157.99 14.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 1.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.899 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.2 p -136.98 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.566 ' N ' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -179.98 -160.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 1.0 110.337 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.84 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 20.8 mm-40 55.51 60.96 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 1.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.028 HG11 HG23 ' A' ' 8' ' ' THR . 53.8 t -111.9 84.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 1.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -87.27 104.37 16.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.675 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -102.18 128.79 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.773 HG13 ' N ' ' A' ' 75' ' ' ALA . 5.9 p -157.07 -139.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.773 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -31.48 95.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 1.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.625 ' C ' ' O ' ' A' ' 75' ' ' ALA . 8.8 m-80 20.93 58.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 27.3 tt0 -162.1 158.61 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.28 108.61 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -99.46 106.09 18.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.974 ' CB ' HG22 ' A' ' 71' ' ' VAL . 54.5 p90 -107.59 125.82 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.84 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . . . -86.66 106.81 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 1.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.0 p90 -107.97 -172.61 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -123.56 162.07 23.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 1.0 110.405 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.669 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -139.96 114.69 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 1.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -96.11 116.04 28.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 1.0 110.064 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -154.56 146.98 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -116.75 133.5 55.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 1.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -110.12 170.56 8.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 111.036 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.58 72.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 172.69 -32.59 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 1.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.487 ' CD ' ' O ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER 165.72 -179.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 0.797 . . . . 1.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.41 ' C ' ' OG1' ' A' ' 93' ' ' THR . 7.3 mttm -87.94 154.85 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.66 HG22 HG23 ' A' ' 121' ' ' ILE . 4.9 m -155.83 146.18 21.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.407 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -129.78 118.83 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 1.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.859 HG22 HG12 ' A' ' 121' ' ' ILE . 47.5 t -100.39 166.23 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 1.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.506 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -136.41 69.81 61.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 1.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.02 162.56 36.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 1.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.736 HG12 ' HB2' ' A' ' 81' ' ' ALA . 10.3 mt -114.47 119.81 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.39 125.11 41.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.57 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -106.15 106.04 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.767 ' CD2' HG22 ' A' ' 11' ' ' VAL . 12.3 m-30 -94.62 136.63 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 1.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.92 ' O ' HG13 ' A' ' 109' ' ' VAL . 10.4 mtp180 -111.03 144.59 39.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -125.08 170.08 11.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.609 HD21 HG23 ' A' ' 110' ' ' VAL . 2.9 p30 -165.91 175.36 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.89 -58.64 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 1.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.591 ' C ' ' H2 ' ' A' ' 1' ' ' MET . . . -172.89 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 1.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.46 31.25 0.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.429 1.081 . . . . 1.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.438 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 1.4 pttt -105.55 129.04 53.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 1.0 109.37 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 102' ' ' ARG . 5.5 t -94.03 117.65 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.609 HG23 HD21 ' A' ' 104' ' ' ASN . 49.0 t -117.91 -5.71 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.438 ' HB3' ' CD ' ' A' ' 102' ' ' ARG . 2.2 m -141.41 141.61 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.492 ' SD ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -158.6 132.89 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 1.0 111.064 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HD3' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -136.02 160.04 39.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.502 1.126 . . . . 1.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.484 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . . . -128.22 153.76 46.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.78 HD13 ' NH1' ' B' ' 72' ' ' ARG . 0.2 OUTLIER -136.07 113.82 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 97' ' ' PRO . 6.8 m-85 -106.64 -175.67 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 1.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -176.08 176.24 47.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 1.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.94 -35.82 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 1.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -67.7 -10.01 48.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 1.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -107.58 29.97 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.859 HG12 HG22 ' A' ' 95' ' ' VAL . 3.3 mt -118.46 148.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -141.08 98.87 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.519 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -59.25 175.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.66 176.64 35.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 1.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 1.0 109.301 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.445 ' C ' ' ND2' ' B' ' 2' ' ' ASN . 49.8 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.49 0.186 . . . . 1.0 111.013 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' B' ' 1' ' ' MET . 5.1 p30 41.0 76.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 1.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -126.9 155.48 75.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -30.71 6.95 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 1.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -68.7 -46.49 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -68.05 -46.51 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.662 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.595 ' HE3' ' HB1' ' B' ' 73' ' ' ALA . 56.2 mtm -61.97 -61.84 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 1.007 HG23 HG11 ' B' ' 71' ' ' VAL . 27.1 m -52.49 -39.53 61.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 1.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -60.07 -44.37 94.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.52 -34.87 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' B' ' 80' ' ' PHE . 5.9 t -64.91 -44.99 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -67.05 -39.91 87.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 1.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.488 ' HB3' HD11 ' B' ' 29' ' ' LEU . 0.0 OUTLIER -68.2 -35.86 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 1.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -67.37 -44.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 1.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.691 HG11 ' N ' ' B' ' 67' ' ' LEU . 24.0 t -62.84 -54.49 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.49 84.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.405 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -62.59 -41.49 99.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 1.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.753 HD23 HG21 ' B' ' 65' ' ' VAL . 6.8 tp -60.84 -57.54 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.74 -22.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 1.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.05 -20.69 55.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.649 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 79.24 20.45 69.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.629 ' O ' HD12 ' B' ' 26' ' ' ILE . 4.8 m-20 -73.12 97.33 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.1 OUTLIER -70.94 -72.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.79 -34.38 75.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.47 -57.82 17.83 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.44 1.088 . . . . 1.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 22' ' ' ASP . 66.0 mt -56.41 -44.9 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 1.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.595 HG22 HG22 ' B' ' 51' ' ' ILE . 3.3 t -61.79 -27.21 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.77 -21.75 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 1.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' B' ' 13' ' ' ARG . 2.3 tt -55.54 -58.09 9.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 35.1 p90 -96.48 -177.81 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.1 167.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.961 ' O ' HG23 ' B' ' 48' ' ' THR . 0.5 OUTLIER -98.35 -13.97 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.86 11.31 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -58.93 179.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.654 HG22 ' CB ' ' B' ' 46' ' ' SER . 49.7 p -135.82 140.18 44.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 1.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.766 HG13 ' HG2' ' B' ' 112' ' ' MET . 11.5 t -114.77 138.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -140.62 94.98 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 110.318 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.787 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -148.15 143.52 17.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 1.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.664 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -74.92 -77.33 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.004 -2.498 . . . . 1.0 111.03 -0.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.59 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -157.29 154.33 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.581 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 136.09 -47.02 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 153.15 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 1.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 1.6 mt-10 67.15 63.77 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.0 Cg_endo -74.98 -169.23 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 1.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.956 ' HD3' ' HB1' ' B' ' 50' ' ' ALA . 6.3 mtt-85 -142.1 142.18 32.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.654 ' CB ' HG22 ' B' ' 35' ' ' THR . 53.0 p -138.89 140.33 38.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.45 150.01 23.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 1.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.961 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.7 p -63.15 -12.32 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.743 . . . . 1.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.32 -64.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.956 ' HB1' ' HD3' ' B' ' 45' ' ' ARG . . . -70.3 -37.19 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.595 HG22 HG22 ' B' ' 27' ' ' VAL . 4.9 mt -60.33 -62.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' B' ' 56' ' ' ALA . 1.3 ttp180 -56.34 -35.98 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 7.8 mm-40 -63.82 -43.02 97.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 1.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.2 OUTLIER -65.83 -58.19 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 1.0 110.96 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.809 ' O ' HD12 ' B' ' 59' ' ' LEU . 12.3 m-85 -60.65 -23.91 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.64 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -76.44 -71.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' B' ' 58' ' ' SER . 29.4 p30 -53.15 -21.03 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 58.4 m -83.79 -48.89 9.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 1.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.809 HD12 ' O ' ' B' ' 55' ' ' TYR . 3.2 mt -58.55 -24.16 60.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 1.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -43.13 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.6 HD23 ' HG ' ' B' ' 63' ' ' LEU . 10.1 tp -91.74 140.27 25.03 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.524 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.6 Cg_endo -74.89 55.52 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 1.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.6 ' HG ' HD23 ' B' ' 61' ' ' LEU . 15.7 mt -54.48 167.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' B' ' 85' ' ' SER . . . -135.51 61.95 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 1.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.808 HG22 ' HB ' ' B' ' 84' ' ' VAL . 86.0 t -77.47 137.77 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -156.79 137.73 13.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.691 ' N ' HG11 ' B' ' 15' ' ' VAL . 14.8 tp -67.22 143.42 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 11.0 p -125.89 -54.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 1.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.452 ' N ' ' NE2' ' B' ' 69' ' ' GLN . 0.0 OUTLIER -178.83 -163.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.697 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 10.1 mm-40 57.76 116.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 1.007 HG11 HG23 ' B' ' 8' ' ' THR . 42.2 t -157.1 68.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.78 ' NH1' HD13 ' A' ' 115' ' ' LEU . 4.8 ptt180 -72.35 102.19 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.595 ' HB1' ' HE3' ' B' ' 7' ' ' MET . . . -101.3 124.92 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 40' ' ' VAL . 1.6 p -175.77 159.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.37 49.49 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 1.0 109.347 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 49.49 38.6 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' B' ' 73' ' ' ALA . 17.8 mt-10 -141.48 169.76 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 1.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.03 110.74 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.734 ' HB3' ' CD ' ' B' ' 72' ' ' ARG . . . -109.27 103.92 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 34.0 p90 -109.65 157.14 19.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 1.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.697 ' HB3' ' HB2' ' B' ' 70' ' ' GLU . . . -111.53 115.74 29.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.602 ' CD2' HG13 ' B' ' 65' ' ' VAL . 32.1 p90 -124.54 171.74 9.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 1.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -103.86 158.96 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.415 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.808 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.3 OUTLIER -148.68 101.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.804 ' HB2' ' HB3' ' B' ' 64' ' ' ALA . 0.9 OUTLIER -86.04 151.21 23.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 1.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' B' ' 93' ' ' THR . 4.5 p90 -164.11 142.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 1.0 110.997 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' B' ' 88' ' ' TYR . 1.9 tm-20 -106.0 137.38 44.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.374 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.411 ' N ' ' HG2' ' B' ' 87' ' ' GLU . 1.4 m-85 -132.15 106.71 8.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 52.58 50.41 18.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.54 -33.34 4.4 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.46 1.1 . . . . 1.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 3.0 ttt180 -58.65 154.84 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 1.0 110.307 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.52 114.52 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.582 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 97.1 m -126.98 154.03 45.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.418 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -128.27 121.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.776 HG13 HG13 ' B' ' 121' ' ' ILE . 4.2 t -100.32 164.38 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -142.79 63.5 13.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.6 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 167.23 27.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 1.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.775 HD11 ' OE1' ' A' ' 70' ' ' GLU . 27.6 mt -115.87 115.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 1.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.65 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -88.67 139.63 30.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.62 ' HD2' ' HB2' ' B' ' 79' ' ' ALA . 32.7 t-80 -130.21 125.29 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 1.0 109.635 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.439 ' CE1' ' SD ' ' B' ' 112' ' ' MET . 17.6 m-30 -118.96 148.0 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 1.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.404 ' CB ' ' HG2' ' B' ' 77' ' ' GLU . 2.6 ttp180 -130.1 123.06 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' B' ' 108' ' ' LYS . 1.0 OUTLIER -82.91 126.41 32.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 111.063 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -163.11 -159.28 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 1.0 109.307 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.606 ' HA3' HG21 ' B' ' 110' ' ' VAL . . . 58.67 19.96 44.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.445 1.09 . . . . 1.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.09 29.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 1.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.495 ' O ' ' CG ' ' B' ' 108' ' ' LYS . . . -137.0 -42.49 0.1 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.475 1.109 . . . . 1.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.707 ' O ' HG23 ' B' ' 110' ' ' VAL . 0.9 OUTLIER 166.24 -167.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 1.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.422 HG23 ' CE1' ' B' ' 103' ' ' PHE . 91.9 t -52.2 116.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 108' ' ' LYS . 72.4 t -113.74 -13.7 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.37 119.32 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.766 ' HG2' HG13 ' B' ' 36' ' ' VAL . 2.4 ttp -129.44 127.2 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 1.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -145.69 138.25 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 1.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.787 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . . . -105.35 160.51 15.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.72 97.81 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 6.1 m-85 -98.67 -173.15 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.906 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -167.01 -172.56 34.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 1.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -113.9 4.16 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 1.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 3.63 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.473 ' OD1' ' CA ' ' B' ' 117' ' ' GLY . 7.3 p-10 -110.6 27.96 9.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.906 HD11 ' O ' ' B' ' 117' ' ' GLY . 3.3 mp -126.48 140.66 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.425 ' C ' HG23 ' B' ' 93' ' ' THR . 10.9 m-70 -129.64 103.44 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.655 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.98 147.3 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.93 177.5 46.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 109.294 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.512 0.196 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -178.32 54.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.414 ' O ' ' SD ' ' A' ' 7' ' ' MET . 14.2 p -125.48 155.5 71.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.566 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 18.4 Cg_endo -75.06 -28.17 9.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 1.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.65 -48.4 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.287 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.98 -41.64 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.786 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -58.18 -55.39 35.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 1.0 110.963 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -58.81 -48.75 80.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 1.0 110.378 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.34 75.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 29' ' ' LEU . 2.4 t -62.04 -38.54 81.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.914 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.3 t -63.05 -42.79 97.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.75 -53.76 54.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -59.42 -47.75 84.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.745 ' HA ' HD13 ' A' ' 29' ' ' LEU . 3.1 t80 -55.03 -47.44 74.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 1.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 11' ' ' VAL . 60.9 t -62.95 -66.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 1.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' VAL . . . -39.87 -34.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -51.69 18.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.638 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.6 tp -51.18 -51.84 49.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -43.18 95.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 1.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -11.7 58.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.07 49.95 43.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.549 1.156 . . . . 1.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HD12 ' A' ' 26' ' ' ILE . 19.5 t0 -112.48 78.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 1.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 7.9 mt -55.57 -57.81 10.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.59 -39.01 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 1.0 109.356 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -67.79 -67.47 1.96 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 1.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 22' ' ' ASP . 3.6 mt -43.0 -34.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 38.2 t -72.04 -46.25 59.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 1.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -65.74 -13.14 58.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -70.43 -66.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 1.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 43.4 p90 -87.51 177.48 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 1.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -46.46 170.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.645 ' O ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -100.92 -14.72 17.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -119.22 17.47 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -61.62 174.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.239 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.82 HG22 ' CB ' ' A' ' 46' ' ' SER . 11.6 p -128.92 133.32 47.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.683 HG23 HG12 ' A' ' 51' ' ' ILE . 43.3 t -103.96 148.32 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 113' ' ' ARG . 1.8 tm-20 -153.49 90.02 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.599 ' HB2' ' HB3' ' A' ' 114' ' ' ALA . 2.7 p-10 -150.73 148.01 22.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.594 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.6 Cg_endo -74.97 -70.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.98 -2.508 . . . . 1.0 110.998 -0.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.584 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -161.38 160.26 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.609 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 124.02 -41.21 1.78 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.8 m 150.52 -175.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 1.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.89 66.86 0.31 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 1.0 110.339 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.02 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.429 1.752 . . . . 1.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' NE ' ' O ' ' A' ' 44' ' ' PRO . 4.5 mmp_? -152.44 148.51 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 1.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.82 ' CB ' HG22 ' A' ' 35' ' ' THR . 40.2 p -146.93 137.34 23.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 1.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 121.06 4.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.593 1.183 . . . . 1.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -46.98 -24.34 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 1.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.04 81.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.683 HG12 HG23 ' A' ' 36' ' ' VAL . 83.8 mt -52.73 -54.51 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 1.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -44.98 84.05 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 1.0 110.324 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.22 -47.4 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -63.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 1.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 51' ' ' ILE . 3.9 m-85 -43.88 -30.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.47 -53.44 10.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -54.83 -23.75 19.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -50.83 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -63.58 -15.77 59.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -57.56 -20.37 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' HD2' ' A' ' 62' ' ' PRO . 11.5 tp -94.51 137.18 22.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.615 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.02 62.62 5.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 1.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -109.14 166.09 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.49 116.31 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.94 137.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 1.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 83' ' ' THR . 19.8 tt0 -163.26 149.53 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.754 ' CD1' ' CZ ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -77.96 170.85 15.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 1.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.519 HG22 ' OG1' ' A' ' 83' ' ' THR . 0.2 OUTLIER -169.66 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.0 110.372 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.419 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 3.2 mp0 -77.81 -90.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -176.66 -178.38 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 1.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.731 HG13 ' CD1' ' A' ' 80' ' ' PHE . 21.7 t -129.92 125.98 61.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.535 HH21 ' HA3' ' B' ' 117' ' ' GLY . 4.7 mmp_? -107.52 94.6 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.173 . . . . 1.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.899 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -89.64 118.5 29.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 73' ' ' ALA . 1.4 t -173.85 158.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.647 ' HB2' ' CG1' ' B' ' 40' ' ' VAL . . . 58.52 47.18 13.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 75' ' ' ALA . 10.2 p30 45.64 28.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.077 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.515 ' OE2' HD21 ' B' ' 115' ' ' LEU . 14.2 pt-20 -144.13 133.65 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.393 1.058 . . . . 1.0 110.319 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . . . -102.79 113.29 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.917 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -111.67 103.16 11.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.731 ' CD1' HG13 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -117.13 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . . . -121.35 109.96 15.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.84 ' CE2' HG21 ' A' ' 15' ' ' VAL . 15.1 m-85 -106.36 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.519 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -123.68 141.48 51.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 1.2 m -119.85 114.93 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.643 ' HA ' HG23 ' A' ' 94' ' ' VAL . 47.4 t -95.1 125.4 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 1.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.499 ' HE1' HG23 ' A' ' 95' ' ' VAL . 1.1 p90 -166.21 152.19 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -118.1 132.4 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 1.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -107.88 168.99 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 1.0 110.971 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -63.76 72.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 1.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 172.32 -32.01 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 1.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.538 ' NE ' ' HB2' ' A' ' 125' ' ' ALA . 0.9 OUTLIER 167.34 179.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.785 . . . . 1.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 92' ' ' LYS . 1.7 mtpm? -91.29 153.0 20.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 92.6 m -157.67 153.25 26.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.643 HG23 ' HA ' ' A' ' 85' ' ' SER . 1.4 p -135.03 111.1 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.529 1.143 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 121' ' ' ILE . 21.9 t -84.31 167.6 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -143.24 70.06 18.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . 18.5 Cg_endo -74.98 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.766 . . . . 1.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.74 HD12 ' HE ' ' B' ' 72' ' ' ARG . 3.2 mt -115.34 122.15 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.635 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 1.0 OUTLIER -95.45 120.13 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.917 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 1.6 t-160 -113.88 99.64 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 1.0 109.534 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 10.6 m-30 -86.99 141.02 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -114.63 102.42 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 1.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 7' ' ' MET . 47.3 m-85 -79.86 117.81 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.94 -155.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 107' ' ' GLY . . . 57.54 21.44 42.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.441 1.088 . . . . 1.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' GLY . . . 40.15 29.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 1.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -136.08 -44.52 0.1 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.443 1.089 . . . . 1.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER 164.85 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.791 . . . . 1.0 109.252 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 109' ' ' VAL . 12.7 t -52.63 116.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.23 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 108' ' ' LYS . 54.5 t -113.33 0.69 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -160.99 108.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.3 ptp -118.97 129.78 55.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 1.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -128.22 171.82 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -134.8 158.74 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 1.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.549 HD23 HG12 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -138.52 112.87 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 39' ' ' PRO . 6.1 m-85 -105.53 -175.27 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 1.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.428 ' H ' ' ND2' ' A' ' 120' ' ' ASN . . . -157.46 -173.62 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 1.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -25.8 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 1.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.437 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 0.1 OUTLIER -100.9 7.41 43.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 29.6 p-10 -97.99 23.78 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 93' ' ' THR . 2.7 mt -129.76 137.11 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -124.49 103.13 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 1.0 109.684 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.51 ' HA ' ' HG1' ' A' ' 93' ' ' THR . . . -77.85 172.98 12.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 160.0 -177.59 36.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 1.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.538 ' HB2' ' NE ' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.74 . . . . 1.0 109.361 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.448 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.502 0.191 . . . . 1.0 110.978 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 1' ' ' MET . 0.5 OUTLIER 40.36 57.34 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.469 ' O ' ' SD ' ' B' ' 7' ' ' MET . 0.7 OUTLIER -46.15 155.14 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.0 110.44 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.1 Cg_endo -75.03 -41.3 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 1.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 2.4 mt-10 -63.64 -28.5 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -77.24 -66.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.793 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 1.2 ptt? -52.34 -40.08 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 1.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' B' ' 73' ' ' ALA . 90.2 m -70.1 -43.75 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 1.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -58.9 -35.16 72.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.04 -49.56 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' B' ' 80' ' ' PHE . 2.6 t -52.85 -38.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.45 -54.9 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -28.45 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.448 ' HD1' HG23 ' B' ' 15' ' ' VAL . 0.8 OUTLIER -69.86 -50.03 46.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 111.05 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.448 HG23 ' HD1' ' B' ' 14' ' ' TYR . 3.2 t -57.65 -46.74 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 1.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.41 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.83 59.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 1.0 109.27 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.493 ' HA ' HD11 ' B' ' 26' ' ' ILE . 13.5 tp -59.54 -52.81 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 65' ' ' VAL . 5.7 t-20 -59.58 -28.8 67.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.95 -26.68 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 1.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 87.73 20.22 51.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 1.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.534 ' O ' HD12 ' B' ' 26' ' ' ILE . 8.5 t0 -72.96 74.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 1.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.877 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -55.77 -35.39 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -72.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.88 -27.68 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 1.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.595 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 50.7 mt -77.13 -51.81 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 1.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.877 HG23 ' O ' ' B' ' 23' ' ' LEU . 88.8 t -62.82 -13.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 1.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.37 -28.57 12.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -49.69 -40.81 41.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' B' ' 51' ' ' ILE . 3.6 p90 -114.43 -178.85 3.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 1.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.76 169.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 1.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.677 ' O ' HG23 ' B' ' 48' ' ' THR . 0.2 OUTLIER -98.86 -15.84 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -117.87 12.74 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.711 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -52.11 152.52 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -108.71 109.66 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 1.0 110.453 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.583 HG11 ' CD2' ' B' ' 54' ' ' PHE . 92.3 t -90.07 149.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.9 OUTLIER -137.19 75.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.841 ' OD1' ' HB2' ' B' ' 114' ' ' ALA . 0.1 OUTLIER -147.32 128.64 7.23 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 1.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.437 ' HB2' ' H ' ' B' ' 40' ' ' VAL . 18.0 Cg_endo -75.1 -143.55 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.944 0.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.647 ' CG1' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -115.24 158.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 1.0 109.386 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 125.18 -38.74 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 1.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.73 171.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.436 0.727 . . . . 1.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 68.27 80.64 0.21 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.266 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -168.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.583 1.833 . . . . 1.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -153.08 85.41 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' B' ' 34' ' ' ALA . 84.7 p -105.45 145.3 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 94.04 131.32 6.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.576 1.172 . . . . 1.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.677 HG23 ' O ' ' B' ' 32' ' ' ASP . 12.1 p -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 1.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -65.2 -65.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.34 -55.07 35.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.711 HD11 ' O ' ' B' ' 34' ' ' ALA . 54.7 mt -44.72 -43.25 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -65.92 -45.89 80.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 1.0 110.212 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.31 -33.56 71.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.0 110.343 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.583 ' CD2' HG11 ' B' ' 36' ' ' VAL . 1.6 t80 -72.76 -71.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 1.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' B' ' 51' ' ' ILE . 18.5 m-85 -48.9 -43.43 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.512 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -62.28 -63.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 22.5 t-20 -49.48 -24.39 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -75.23 -58.14 3.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.105 . . . . 1.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' HA2' ' B' ' 21' ' ' GLY . 0.2 OUTLIER -57.04 -19.64 19.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 1.0 109.362 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -47.0 -25.3 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 1.0 109.302 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.527 HD12 ' HD2' ' B' ' 62' ' ' PRO . 11.1 tp -88.22 139.56 30.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 65.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 1.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -117.4 -177.25 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 1.0 109.251 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' B' ' 19' ' ' ASN . . . -147.96 100.86 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.655 HG13 ' CD2' ' B' ' 82' ' ' PHE . 24.2 t -84.27 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 1.0 109.369 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -166.35 146.23 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.467 ' C ' HG22 ' B' ' 68' ' ' THR . 3.1 mt -76.3 176.27 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.49 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.0 OUTLIER 170.65 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 1.0 110.431 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.805 ' NE2' ' HB3' ' B' ' 81' ' ' ALA . 1.2 tm0? -74.58 -78.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' B' ' 69' ' ' GLN . 0.0 OUTLIER 171.05 177.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 110.239 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.903 HG22 ' CB ' ' B' ' 80' ' ' PHE . 61.4 t -126.81 146.51 32.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.74 ' HE ' HD12 ' A' ' 98' ' ' ILE . 6.3 tpp180 -116.22 72.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.793 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -78.56 120.5 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -177.76 156.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.434 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 57.1 52.63 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.446 ' CB ' ' OD1' ' B' ' 104' ' ' ASN . 0.2 OUTLIER 45.17 26.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.312 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' B' ' 7' ' ' MET . 11.3 mt-10 -131.98 166.99 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 73' ' ' ALA . . . -137.16 97.5 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.54 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -105.57 94.94 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.903 ' CB ' HG22 ' B' ' 71' ' ' VAL . 36.4 p90 -114.46 170.28 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.805 ' HB3' ' NE2' ' B' ' 69' ' ' GLN . . . -134.9 132.8 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.655 ' CD2' HG13 ' B' ' 65' ' ' VAL . 42.8 p90 -133.26 174.71 10.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.49 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.6 OUTLIER -106.2 163.85 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 1.0 110.427 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.6 OUTLIER -142.13 125.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.342 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -96.82 116.35 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 1.0 110.047 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.606 ' CE1' HG23 ' B' ' 95' ' ' VAL . 1.2 p90 -154.27 143.34 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -112.26 134.41 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.326 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -110.92 172.37 6.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 111.04 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -63.91 74.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 170.8 -31.55 0.14 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 1.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.778 ' HD2' ' HB1' ' B' ' 123' ' ' ALA . 1.2 ptt180 162.08 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 1.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.403 ' C ' ' OG1' ' B' ' 93' ' ' THR . 4.7 mttt -80.06 153.36 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.57 HG22 ' CG2' ' B' ' 121' ' ' ILE . 4.0 m -155.28 146.72 22.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.456 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.4 OUTLIER -124.4 120.62 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.885 HG22 HG12 ' B' ' 121' ' ' ILE . 61.3 t -99.67 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -137.65 72.65 49.31 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.487 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.5 Cg_endo -74.99 159.53 41.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 1.2 mt -115.33 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.606 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 2.1 m-20 -101.9 124.28 47.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 21.4 t-160 -117.07 103.46 10.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.627 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.474 ' CD2' HG22 ' B' ' 11' ' ' VAL . 11.5 m-30 -102.09 160.22 14.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -137.19 130.11 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.695 ' CD2' HG22 ' B' ' 109' ' ' VAL . 10.0 m-85 -100.8 -174.91 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' B' ' 103' ' ' PHE . 7.5 m120 90.83 -135.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.764 ' O ' ' HB2' ' B' ' 106' ' ' ALA . . . 60.33 12.67 25.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.451 1.094 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' B' ' 105' ' ' GLY . . . 151.49 -20.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 1.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 121.3 34.09 0.91 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 1.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.99 -172.7 2.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 0.734 . . . . 1.0 109.376 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.695 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.4 t -91.0 118.35 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.562 ' O ' HG12 ' B' ' 110' ' ' VAL . 73.0 t -134.54 10.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -146.8 131.54 17.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.531 ' CE ' HG22 ' B' ' 36' ' ' VAL . 3.3 mtm -150.26 142.93 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 1.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -148.76 165.95 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 110.355 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.841 ' HB2' ' OD1' ' B' ' 38' ' ' ASP . . . -135.53 168.19 19.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 1.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.515 HD21 ' OE2' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -152.39 105.11 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.724 ' O ' HG21 ' A' ' 74' ' ' VAL . 7.3 p90 -115.39 127.58 55.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.535 ' HA3' HH21 ' A' ' 72' ' ' ARG . . . -109.08 -172.32 20.97 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.437 1.085 . . . . 1.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 1.4 mp0 -110.65 2.69 18.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 1.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.466 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -108.98 18.21 20.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.504 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 2.8 p30 -131.59 43.84 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.885 HG12 HG22 ' B' ' 95' ' ' VAL . 3.2 mt -133.29 147.24 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.456 ' HB2' HG12 ' B' ' 94' ' ' VAL . 4.4 m-70 -137.7 115.22 11.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 1.0 109.602 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.778 ' HB1' ' HD2' ' B' ' 91' ' ' ARG . . . -79.6 167.59 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.91 173.29 38.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 1.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 1.0 109.248 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.475 0.178 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 40.88 66.71 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.482 ' O ' ' SD ' ' A' ' 7' ' ' MET . 47.9 p -113.28 155.38 44.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.49 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.1 Cg_endo -75.09 -37.45 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 1.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.9 tm-20 -67.3 -28.49 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.445 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 2.5 t-160 -77.0 -65.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.807 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -51.59 -43.84 62.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.643 HG23 HG11 ' A' ' 71' ' ' VAL . 91.2 m -66.55 -45.86 78.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.47 -33.81 68.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 1.0 109.313 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG13 HD22 ' A' ' 29' ' ' LEU . 24.8 t -68.43 -49.11 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.71 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.4 t -51.52 -42.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -63.94 -49.06 74.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.23 -35.39 73.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.9 t80 -65.31 -49.43 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 1.0 110.992 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.85 -47.3 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.39 46.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 22' ' ' ASP . . . -50.17 -42.49 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.567 HD23 ' HB ' ' A' ' 65' ' ' VAL . 9.7 tp -56.83 -53.71 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 9.1 t-20 -61.04 -22.51 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.21 31.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 1.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.04 9.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 1.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.7 ' O ' HD12 ' A' ' 26' ' ' ILE . 14.7 t0 -96.44 71.14 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 1.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.924 HD11 ' HA ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -55.45 -40.02 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 1.0 109.322 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -72.47 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.88 -27.83 0.4 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 22' ' ' ASP . 32.0 mt -78.36 -48.25 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.893 HG21 ' HG3' ' A' ' 52' ' ' ARG . 68.7 t -68.07 -10.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.2 -26.46 12.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.556 HD22 HG13 ' A' ' 10' ' ' VAL . 1.9 mt -48.82 -37.85 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 1.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 2.4 p90 -115.81 -175.88 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.721 ' CB ' HG22 ' A' ' 110' ' ' VAL . . . -44.88 168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 1.004 ' O ' HG23 ' A' ' 48' ' ' THR . 0.2 OUTLIER -91.19 -17.69 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 1.0 109.398 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -125.51 26.85 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 1.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.91 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -60.01 166.42 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 45' ' ' ARG . 29.9 p -119.64 125.88 49.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.828 HG13 ' HE2' ' A' ' 112' ' ' MET . 3.5 t -104.4 139.53 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.489 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -133.02 55.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 1.9 p-10 -125.11 144.03 46.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.0 Cg_endo -75.02 -67.37 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.847 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -156.94 178.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.45 16.35 9.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 p 62.84 -177.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 1.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 68.12 62.81 0.68 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.02 152.68 40.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 1.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 35' ' ' THR . 6.6 mtt180 -101.32 166.61 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 110.239 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.424 ' CB ' HG22 ' A' ' 35' ' ' THR . 74.0 p -151.7 142.94 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 1.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.27 127.83 5.68 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.516 1.135 . . . . 1.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.004 HG23 ' O ' ' A' ' 32' ' ' ASP . 3.3 p -46.53 -25.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 1.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . . . -63.04 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.46 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.545 HG21 ' CE1' ' A' ' 30' ' ' PHE . 14.4 mt -54.8 -38.31 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.893 ' HG3' HG21 ' A' ' 27' ' ' VAL . 10.9 mtm105 -71.21 -66.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.2 -39.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 1.0 110.253 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE2' ' OD1' ' A' ' 38' ' ' ASP . 1.1 t80 -65.86 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 1.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.5 ' CB ' HD21 ' A' ' 23' ' ' LEU . 7.6 m-85 -56.04 -16.95 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.924 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -77.39 -66.43 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 1.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -60.18 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -75.46 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 1.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -57.46 -20.06 28.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 1.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -27.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 1.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.56 HD12 ' HD2' ' A' ' 62' ' ' PRO . 11.1 tp -76.78 139.27 66.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.56 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 64.39 6.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 1.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.13 -177.25 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.82 104.03 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.567 ' HB ' HD23 ' A' ' 18' ' ' LEU . 89.2 t -84.13 137.64 20.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 1.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -155.95 149.63 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' ' 68' ' ' THR . 2.6 mt -83.63 170.62 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER 177.8 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 1.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.675 ' NE2' ' HB3' ' A' ' 81' ' ' ALA . 1.3 tm0? -69.46 -76.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.5 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER 163.42 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.922 HG22 ' CB ' ' A' ' 80' ' ' PHE . 71.7 t -133.85 146.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.842 HH21 ' HB3' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -121.14 87.88 2.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.807 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -86.54 129.47 34.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 HG21 ' B' ' 40' ' ' VAL . 1.6 p -141.4 -150.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.795 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -40.68 94.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 1.0 109.233 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' VAL . 1.0 OUTLIER 37.22 31.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.539 ' OE1' HD21 ' B' ' 115' ' ' LEU . 1.9 tt0 -123.8 160.13 28.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -148.08 87.43 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.46 101.4 12.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.922 ' CB ' HG22 ' A' ' 71' ' ' VAL . 49.8 p90 -119.98 179.87 4.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.771 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -142.9 137.84 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 11.5 p90 -137.03 -179.86 5.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 1.0 111.055 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -115.52 160.24 20.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 1.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -134.71 120.95 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 48.2 m -95.84 117.25 30.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 1.4 p90 -154.82 151.21 28.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 1.5 pt-20 -130.68 142.07 50.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.96 135.91 45.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.74 48.55 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 110.288 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.08 31.04 75.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 1.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -124.91 113.54 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 1.0 110.264 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.43 140.43 41.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.552 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 4.4 m -154.24 146.07 23.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 1.0 110.376 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -132.71 119.85 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.764 HG22 HG12 ' A' ' 121' ' ' ILE . 48.5 t -102.03 166.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 1.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 120' ' ' ASN . . . -138.07 71.65 47.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.472 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.429 1.752 . . . . 1.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.771 HG12 ' HB2' ' A' ' 81' ' ' ALA . 10.9 mt -111.49 157.82 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.618 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.7 m-20 -136.07 144.93 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.559 ' NE2' ' CG2' ' A' ' 98' ' ' ILE . 15.8 m170 -132.02 91.61 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 1.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.71 ' CD2' HG22 ' A' ' 11' ' ' VAL . 4.6 m-30 -83.94 133.66 34.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 111' ' ' SER . 4.4 ttp180 -116.7 112.93 21.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 1.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.823 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -84.13 114.43 21.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 1.0 111.043 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 106' ' ' ALA . 8.5 t30 -114.73 -155.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.25 28.88 0.19 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.514 1.134 . . . . 1.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 104' ' ' ASN . . . 47.18 71.14 0.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 0.758 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.76 47.15 2.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 1.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -159.93 105.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 1.0 109.253 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.823 HG22 ' CD2' ' A' ' 103' ' ' PHE . 4.6 t -64.42 121.37 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 109.355 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.91 HG13 ' HA ' ' A' ' 34' ' ' ALA . 84.1 t -132.2 -62.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -80.14 114.8 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 109.965 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.828 ' HE2' HG13 ' A' ' 36' ' ' VAL . 1.7 ptm -139.99 133.53 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.791 ' HD3' HD12 ' A' ' 115' ' ' LEU . 4.4 tmm_? -136.12 146.84 47.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.0 110.236 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.529 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -110.68 172.65 6.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.616 1.198 . . . . 1.0 109.38 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.915 HD23 ' CG2' ' B' ' 74' ' ' VAL . 0.1 OUTLIER -157.16 102.53 1.96 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 1.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -116.37 129.08 56.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -111.57 -173.83 19.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 1.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.641 ' HA ' HD12 ' A' ' 121' ' ' ILE . 1.2 mm-40 -110.5 23.56 14.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 1.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' B' ' 71' ' ' VAL . 0.0 OUTLIER -116.78 16.62 15.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.687 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -142.65 49.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 1.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.764 HG12 HG22 ' A' ' 95' ' ' VAL . 7.0 mt -135.18 136.57 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.357 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.503 ' N ' ' CD2' ' A' ' 122' ' ' HIS . 0.5 OUTLIER -129.1 138.66 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.541 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.82 161.58 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 161.61 176.17 33.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 1.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 1.0 109.314 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.427 0.156 . . . . 1.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.745 ' N ' HD22 ' B' ' 2' ' ' ASN . 0.8 OUTLIER -89.24 62.25 6.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.162 . . . . 1.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.2 p -112.04 161.56 25.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 1.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -29.37 8.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 1.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.42 -43.99 84.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.85 -46.19 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 1.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.534 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -54.17 -52.37 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.0 111.04 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.04 -46.42 90.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 110.444 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.75 69.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.246 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.34 -45.47 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.668 HG22 ' CE1' ' B' ' 80' ' ' PHE . 6.6 t -61.24 -41.29 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -59.57 -51.26 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -59.98 -34.55 73.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -69.25 -39.23 78.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 1.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 11' ' ' VAL . 48.9 t -63.63 -56.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -53.51 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 1.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.634 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -52.55 -48.04 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.232 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.756 HD23 HG11 ' B' ' 65' ' ' VAL . 15.4 tp -53.01 -53.95 42.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -21.6 65.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.05 -12.57 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 1.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.449 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . 65.88 27.64 72.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.765 ' O ' HD12 ' B' ' 26' ' ' ILE . 33.5 m-20 -76.07 97.62 4.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 1.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 55' ' ' TYR . 1.8 mt -70.2 -59.04 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 1.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.74 -34.33 72.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 1.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -67.48 -66.84 2.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.765 HD12 ' O ' ' B' ' 22' ' ' ASP . 12.9 mt -46.34 -37.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.551 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.4 t -68.22 -39.77 81.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -71.32 -17.0 62.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -64.29 -59.04 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.64 ' HE2' HG22 ' B' ' 26' ' ' ILE . 25.5 p90 -98.86 -177.76 3.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -48.02 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 1.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 1.01 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -104.03 -14.86 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -115.96 16.2 16.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -66.94 165.18 16.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.685 HG22 ' CB ' ' B' ' 46' ' ' SER . 2.0 p -118.56 133.7 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 1.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.682 HG23 HG12 ' B' ' 51' ' ' ILE . 25.1 t -107.22 138.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 1.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 2.8 mt-10 -137.78 97.79 3.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.258 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.552 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 2.9 t0 -143.55 122.65 7.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.552 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.0 -87.03 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.992 -2.503 . . . . 1.0 111.006 -0.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.817 HG21 HG11 ' A' ' 74' ' ' VAL . 2.0 t -136.38 141.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.383 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.2 27.42 39.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 1.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 16.1 m -111.57 62.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 1.0 109.938 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 41.11 86.67 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.346 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.2 Cg_endo -75.03 144.73 30.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 1.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.469 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 10.2 mpt_? -87.81 150.16 23.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.685 ' CB ' HG22 ' B' ' 35' ' ' THR . 19.4 p -136.05 104.45 5.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.028 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.67 157.9 10.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 1.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 1.01 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.5 p -60.34 -26.75 66.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 1.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.44 -68.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -56.16 -52.01 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 1.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.682 HG12 HG23 ' B' ' 36' ' ' VAL . 5.2 mt -46.36 -46.07 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' B' ' 53' ' ' GLU . 55.0 ttp85 -61.76 -62.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 52' ' ' ARG . 0.0 OUTLIER -45.15 -36.06 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.487 ' CD2' ' N ' ' B' ' 55' ' ' TYR . 9.8 t80 -69.5 -68.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 1.0 110.952 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.564 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.4 m-85 -43.98 -27.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.24 -51.33 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -54.37 -36.13 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -69.93 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.564 HD12 ' O ' ' B' ' 55' ' ' TYR . 1.0 OUTLIER -54.45 -19.78 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -40.96 -29.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 1.0 109.242 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.881 HD11 ' O ' ' B' ' 87' ' ' GLU . 13.9 tp -99.7 137.49 20.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 1.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 54.65 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.516 1.798 . . . . 1.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' B' ' 85' ' ' SER . 0.2 OUTLIER -78.97 -177.66 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 106.45 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.756 HG11 HD23 ' B' ' 18' ' ' LEU . 37.3 t -87.03 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -162.85 129.13 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 1.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' B' ' 81' ' ' ALA . 5.5 mt -59.89 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.423 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.35 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.551 ' NE2' ' CB ' ' B' ' 81' ' ' ALA . 1.5 mt-30 -85.18 -98.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -174.57 -179.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.903 HG22 ' CB ' ' B' ' 80' ' ' PHE . 84.3 t -119.6 139.29 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 1.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.422 ' HG2' HD12 ' A' ' 98' ' ' ILE . 6.6 mpt_? -117.53 86.49 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 1.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' B' ' 78' ' ' ALA . . . -84.13 128.36 34.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.915 ' CG2' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -141.93 -150.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.481 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -45.42 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 1.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.2 OUTLIER 35.1 36.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.563 ' OE2' ' CE1' ' B' ' 100' ' ' HIS . 2.7 mt-10 -136.76 106.24 6.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -101.66 97.02 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.693 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -107.21 108.31 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.903 ' CB ' HG22 ' B' ' 71' ' ' VAL . 8.9 p90 -123.45 153.23 40.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 1.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.551 ' CB ' ' NE2' ' B' ' 69' ' ' GLN . . . -107.91 130.68 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 109.282 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.629 ' CE2' ' CG1' ' B' ' 84' ' ' VAL . 6.7 p90 -135.96 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 1.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.423 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.51 161.24 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 110.412 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.629 ' CG1' ' CE2' ' B' ' 82' ' ' PHE . 4.2 m -149.18 124.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' B' ' 93' ' ' THR . 73.5 m -104.04 116.55 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 1.0 110.036 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.586 ' CZ ' ' CG2' ' B' ' 84' ' ' VAL . 13.4 m-30 -104.48 172.9 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 1.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.881 ' O ' HD11 ' B' ' 61' ' ' LEU . 28.6 tt0 -147.14 159.83 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 110.233 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.498 ' N ' ' CG ' ' B' ' 87' ' ' GLU . 1.6 m-85 -156.44 78.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 39.75 65.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 1.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.15 -32.89 6.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 1.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.454 ' HB2' ' CB ' ' B' ' 88' ' ' TYR . 1.2 mtp180 -79.07 157.47 28.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.786 . . . . 1.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.426 ' HG3' ' HB3' ' B' ' 125' ' ' ALA . 0.1 OUTLIER -156.15 141.73 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' B' ' 85' ' ' SER . 2.6 m -136.01 166.64 22.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 1.0 110.448 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.745 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.8 t -142.9 86.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.906 HG22 ' CG1' ' B' ' 121' ' ' ILE . 54.6 t -87.99 147.24 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.538 ' O ' ' CZ ' ' A' ' 72' ' ' ARG . . . -122.76 72.17 41.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.741 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.2 Cg_endo -74.95 168.46 24.78 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 1.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.498 HG12 ' CB ' ' B' ' 81' ' ' ALA . 71.6 mt -123.16 115.61 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -86.26 142.0 28.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.693 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 16.5 t-160 -136.16 101.72 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.639 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' B' ' 101' ' ' PHE . 9.2 m-30 -101.32 129.82 47.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -116.57 123.55 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 1.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' B' ' 108' ' ' LYS . 1.2 m-85 -74.15 124.93 27.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.18 -165.15 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 1.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.499 ' HA3' HG21 ' B' ' 110' ' ' VAL . . . 59.14 21.71 53.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 1.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.13 29.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 0.761 . . . . 1.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' B' ' 108' ' ' LYS . . . -135.14 -44.08 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 1.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.777 ' O ' HG23 ' B' ' 110' ' ' VAL . 0.2 OUTLIER 166.31 -170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 1.0 109.279 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 15.8 t -44.76 119.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 1.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 108' ' ' LYS . 48.9 t -123.5 0.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 27.6 m -159.51 124.16 3.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 1.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.434 ' HE3' ' CE1' ' B' ' 30' ' ' PHE . 2.3 ptp -129.81 121.73 27.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.45 121.92 46.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.537 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -98.76 94.16 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.539 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -71.77 116.36 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.493 ' CG ' ' HB3' ' B' ' 39' ' ' PRO . 2.5 m-85 -101.29 -168.73 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.445 ' N ' ' NH1' ' A' ' 72' ' ' ARG . . . -168.29 -173.85 36.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.462 1.101 . . . . 1.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -135.79 9.69 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 0.814 . . . . 1.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -116.89 -7.66 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.842 ' HB3' HH21 ' A' ' 72' ' ' ARG . 1.2 m-80 -118.45 36.65 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.906 ' CG1' HG22 ' B' ' 95' ' ' VAL . 2.3 mp -122.61 140.3 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -123.49 82.99 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0 109.648 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.8 145.24 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.09 42.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 1.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.426 ' HB3' ' HG3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 1.0 109.379 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.433 ' H1 ' ' HA3' ' A' ' 105' ' ' GLY . 36.8 tpp . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.5 0.191 . . . . 1.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 1' ' ' MET . 13.8 t30 -135.54 178.81 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.555 ' OG1' ' CG ' ' A' ' 6' ' ' HIS . 1.4 p -111.17 157.43 38.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.471 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.3 Cg_endo -75.02 -37.28 2.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 1.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.1 mt-10 -69.14 -27.3 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.555 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 21.7 m170 -77.77 -64.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.768 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 1.6 ptt? -53.08 -39.15 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.785 HG23 HG11 ' A' ' 71' ' ' VAL . 91.5 m -71.17 -45.1 64.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 1.0 110.345 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -56.57 -42.68 79.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 1.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.646 HG13 HD22 ' A' ' 29' ' ' LEU . 2.7 t -66.22 -43.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.773 HG22 ' CD2' ' A' ' 101' ' ' PHE . 2.7 t -54.44 -39.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -58.27 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.66 -28.19 45.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.587 ' HB2' HD13 ' A' ' 29' ' ' LEU . 3.2 t80 -72.15 -48.71 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.29 -46.17 81.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 1.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.35 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.94 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.646 ' HA ' HD11 ' A' ' 26' ' ' ILE . 13.5 tp -63.44 -58.64 6.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -58.54 -19.94 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.94 -32.81 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 97.07 47.64 2.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.152 . . . . 1.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.692 ' O ' HD12 ' A' ' 26' ' ' ILE . 8.7 m-20 -103.84 88.74 3.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 0.779 . . . . 1.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -70.91 -61.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -43.12 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.27 -55.91 27.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 1.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 22' ' ' ASP . 60.1 mt -57.18 -42.93 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 0.802 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 23' ' ' LEU . 99.2 t -63.3 -26.35 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.76 -22.3 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.227 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.646 HD22 HG13 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -53.03 -45.47 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 5.8 p90 -111.91 -177.94 3.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 1.0 111.0 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.669 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -45.25 168.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 48' ' ' THR . 20.5 m-20 -98.22 -13.82 20.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.65 22.48 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -68.43 160.64 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' CB ' ' A' ' 46' ' ' SER . 35.3 p -110.01 139.0 45.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.428 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.669 HG11 ' CE2' ' A' ' 54' ' ' PHE . 2.1 t -122.59 142.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HG2' ' NH1' ' A' ' 113' ' ' ARG . 10.0 tp10 -131.57 80.7 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 1.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.626 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -131.92 135.99 27.57 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 1.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.626 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.95 -77.83 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.048 -2.48 . . . . 1.0 110.972 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG12 HH21 ' A' ' 113' ' ' ARG . 0.0 OUTLIER -159.42 159.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 136.28 -47.45 0.97 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.3 t 151.69 177.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 1.0 109.939 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' N ' ' OG ' ' A' ' 42' ' ' SER . 1.2 mt-10 68.49 63.4 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.05 143.55 29.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 1.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.508 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -99.16 178.57 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 1.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.488 ' CB ' HG22 ' A' ' 35' ' ' THR . 82.3 p -173.16 155.44 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 1.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 89.77 131.37 4.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 1.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 32' ' ' ASP . 69.4 p -41.25 -28.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 1.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.27 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 1.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -61.3 -51.44 68.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.46 1.1 . . . . 1.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.526 HG23 ' CE1' ' A' ' 55' ' ' TYR . 8.6 mt -48.15 -48.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG2' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -58.16 -48.45 80.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 1.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -36.14 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 1.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.669 ' CE2' HG11 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -72.89 -69.98 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 1.0 110.964 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.597 ' CE2' HG21 ' A' ' 26' ' ' ILE . 21.2 m-85 -47.85 -44.04 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.715 ' HA ' HD21 ' A' ' 23' ' ' LEU . . . -62.48 -63.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 109.371 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -46.75 -30.02 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 1.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.709 HD13 ' CD2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -20.06 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 -29.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 59' ' ' LEU . 12.4 tp -104.25 122.2 44.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 1.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.27 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.393 1.733 . . . . 1.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.835 HD12 ' H ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -139.79 -176.11 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.6 88.52 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.385 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.944 HG22 ' HB ' ' A' ' 84' ' ' VAL . 46.7 t -91.43 137.83 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -165.09 150.03 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.426 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.1 mt -75.69 142.08 42.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 1.0 109.216 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.529 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.6 t -179.96 68.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 110.412 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.1 tt0 -171.43 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 8.9 tp10 174.24 153.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 1.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.896 HG22 ' CB ' ' A' ' 80' ' ' PHE . 83.9 t -124.57 104.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.679 HH21 ' C ' ' B' ' 96' ' ' ALA . 0.4 OUTLIER -80.23 85.16 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.768 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -92.37 100.36 12.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.944 ' CG1' HG21 ' B' ' 40' ' ' VAL . 2.5 t -158.31 148.44 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB3' HG11 ' B' ' 40' ' ' VAL . . . 56.07 48.58 17.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 1.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 48.57 30.48 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.268 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 1.4 mm-40 -132.94 117.66 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.597 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -102.91 96.57 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 1.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.99 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -101.22 91.99 4.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.896 ' CB ' HG22 ' A' ' 71' ' ' VAL . 35.4 p90 -110.76 148.59 32.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -114.02 119.93 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 96' ' ' ALA . 12.1 p90 -120.89 -175.25 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.529 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -122.15 164.65 17.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 110.415 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.944 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -152.76 123.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -93.96 125.4 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 109.993 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.908 ' CE1' HG23 ' A' ' 95' ' ' VAL . 4.5 p90 -146.35 132.11 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 91' ' ' ARG . 6.0 tt0 -97.61 138.47 34.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.43 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -128.48 105.77 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 111.049 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.29 49.5 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 1.0 110.316 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.93 -31.46 5.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 1.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 62.2 mtp85 -62.87 151.55 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 1.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -124.17 112.29 16.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.087 . . . . 1.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.589 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 74.7 m -126.0 147.45 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.431 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 94' ' ' VAL . 2.7 p -126.45 111.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.908 HG23 ' CE1' ' A' ' 86' ' ' PHE . 77.4 t -89.43 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -123.84 71.9 51.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.066 . . . . 1.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.785 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.4 Cg_endo -74.99 160.89 39.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.582 1.833 . . . . 1.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.93 HD12 ' HD2' ' B' ' 72' ' ' ARG . 8.5 mt -120.86 114.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -90.66 135.73 33.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 1.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.99 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 4.3 t-160 -120.93 86.27 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.773 ' CD2' HG22 ' A' ' 11' ' ' VAL . 4.1 m-30 -69.54 150.34 47.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -128.14 106.85 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 25.0 m-85 -95.12 122.97 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -84.02 103.66 13.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' HA3' ' H1 ' ' A' ' 1' ' ' MET . . . -40.02 161.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 1.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.421 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 40.21 32.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 1.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -156.31 -94.64 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 1.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER 161.4 -175.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 1.0 109.343 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.687 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 43.7 t -61.99 116.11 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 31' ' ' ALA . 46.5 t -134.28 9.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 1.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 1.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.499 ' HG3' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -162.09 141.3 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.751 HH21 HG12 ' A' ' 40' ' ' VAL . 40.3 ttt85 -137.16 129.19 29.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.53 163.02 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.586 HD22 ' HG3' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -144.61 105.1 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.346 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -121.66 126.18 48.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.386 1.054 . . . . 1.0 111.036 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.609 ' O ' HD12 ' A' ' 121' ' ' ILE . . . -114.62 172.78 14.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 1.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.69 -20.23 47.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 1.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 15.06 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.451 ' ND2' ' OE2' ' B' ' 70' ' ' GLU . 4.2 m-20 -114.13 -11.01 12.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.753 ' CG1' HG22 ' A' ' 95' ' ' VAL . 3.8 mp -93.22 135.74 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -127.34 91.87 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.636 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.38 154.87 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.17 177.37 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 1.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.461 0.742 . . . . 1.0 109.303 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.503 0.192 . . . . 1.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -178.58 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.622 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -152.98 154.79 31.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 110.456 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.37 4.67 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 1.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 46.8 tt0 -65.52 -44.45 86.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.622 ' HB2' HG23 ' B' ' 3' ' ' THR . 4.1 t60 -70.17 -43.61 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.549 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.427 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -59.23 -59.15 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 111.008 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -58.44 -38.59 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -55.47 -50.73 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' B' ' 103' ' ' PHE . 54.9 t -58.43 -46.98 89.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.616 ' CG1' ' CD1' ' B' ' 80' ' ' PHE . 2.9 t -56.38 -40.2 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.78 -46.83 83.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -59.71 -38.38 81.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.468 ' CD2' ' CZ ' ' B' ' 101' ' ' PHE . 17.2 t80 -63.51 -52.91 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 t -53.48 -54.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.18 . . . . 1.0 109.309 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -55.44 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.487 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -51.29 -35.61 38.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.587 ' HA ' HD11 ' B' ' 26' ' ' ILE . 9.7 tp -63.79 -53.8 45.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 1.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.72 -18.09 63.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 1.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.78 -15.74 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.495 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 78.65 12.68 83.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 1.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.639 ' O ' HD12 ' B' ' 26' ' ' ILE . 0.7 OUTLIER -65.32 90.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 0.804 . . . . 1.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -72.12 -73.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.74 -39.91 78.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -56.71 23.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.639 HD12 ' O ' ' B' ' 22' ' ' ASP . 57.7 mt -53.28 -42.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.748 . . . . 1.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.914 HG21 ' CB ' ' B' ' 52' ' ' ARG . 87.3 t -62.73 -32.01 54.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.63 -19.87 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.492 ' O ' HD23 ' B' ' 29' ' ' LEU . 6.4 tt -50.62 -39.01 49.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 1.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.987 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.1 p90 -117.39 -175.15 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 1.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.38 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.711 ' O ' HG22 ' B' ' 48' ' ' THR . 0.3 OUTLIER -94.85 -11.02 29.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.361 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.47 15.81 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.612 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -55.05 159.09 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.56 HG22 ' CB ' ' B' ' 46' ' ' SER . 45.8 p -109.6 122.44 47.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.699 HG21 HG23 ' B' ' 51' ' ' ILE . 14.3 t -112.64 138.14 42.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 1.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -116.98 73.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 110.245 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.591 ' OD1' ' CD2' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -105.69 134.45 19.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 1.0 109.319 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.741 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.7 Cg_endo -74.96 -44.65 0.54 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.084 -2.465 . . . . 1.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.944 HG21 ' CG1' ' A' ' 74' ' ' VAL . 2.0 t -124.21 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.771 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -52.07 -19.36 5.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 5.6 t -60.14 82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.529 0.782 . . . . 1.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER 86.17 86.59 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 110.264 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.7 14.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 1.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.61 ' HG2' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -147.14 154.58 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.329 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.56 ' CB ' HG22 ' B' ' 35' ' ' THR . 82.5 p -150.44 133.05 15.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 1.0 110.067 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 115.79 123.36 3.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.162 . . . . 1.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.711 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -43.59 -25.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 1.0 110.385 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -67.62 -50.85 56.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.61 ' HB1' ' HG2' ' B' ' 45' ' ' ARG . . . -68.62 -38.29 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.987 HG21 ' CE1' ' B' ' 30' ' ' PHE . 30.7 mt -59.65 -59.41 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.914 ' CB ' HG21 ' B' ' 27' ' ' VAL . 22.6 ptt180 -62.85 -27.16 69.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' B' ' 57' ' ' ASN . 14.3 tp10 -61.03 -62.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 1.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.591 ' CD2' ' OD1' ' B' ' 38' ' ' ASP . 3.6 t80 -58.28 -49.72 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.193 . . . . 1.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.918 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.8 m-85 -60.75 -25.18 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 1.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.716 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -75.28 -72.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 1.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 53' ' ' GLU . 0.9 OUTLIER -52.23 -26.25 11.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' B' ' 54' ' ' PHE . 25.6 t -73.62 -53.57 10.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.062 . . . . 1.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.918 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.3 OUTLIER -58.74 -23.08 59.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -43.78 -26.73 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' B' ' 86' ' ' PHE . 12.0 tp -91.44 116.28 66.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 1.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.599 HD12 ' H ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -148.28 -176.17 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.41 102.44 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.691 HG13 ' CD2' ' B' ' 82' ' ' PHE . 6.4 t -92.99 142.07 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -155.7 141.99 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' B' ' 80' ' ' PHE . 0.7 OUTLIER -78.2 118.32 20.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -117.69 -25.29 6.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.639 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 0.4 OUTLIER -93.13 -171.15 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' ND2' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -87.89 -175.53 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.878 HG22 ' CB ' ' B' ' 80' ' ' PHE . 99.1 t -141.62 119.65 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.93 ' HD2' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -90.22 91.39 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.11 119.1 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 177.35 162.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 1.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 41' ' ' GLY . . . 53.03 54.91 9.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 1.0 109.255 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 44.07 32.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 1.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.418 ' HB3' ' NE2' ' B' ' 100' ' ' HIS . 2.9 mt-10 -135.18 162.76 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -153.52 103.68 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.855 ' HB3' ' CG ' ' B' ' 72' ' ' ARG . . . -107.81 106.3 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.878 ' CB ' HG22 ' B' ' 71' ' ' VAL . 29.0 p90 -111.59 142.55 43.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -108.25 132.23 53.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.691 ' CD2' HG13 ' B' ' 65' ' ' VAL . 40.4 p90 -140.97 172.54 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.1 OUTLIER -107.56 160.88 15.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 1.0 110.419 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.506 HG13 ' CD ' ' B' ' 97' ' ' PRO . 0.6 OUTLIER -137.27 116.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.0 109.269 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -96.83 110.54 23.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.477 1.111 . . . . 1.0 109.967 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' B' ' 93' ' ' THR . 5.8 p90 -139.78 137.14 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.481 ' HB2' ' CB ' ' B' ' 92' ' ' LYS . 56.2 tt0 -135.14 148.6 49.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 1.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.656 ' CD1' ' N ' ' B' ' 88' ' ' TYR . 0.1 OUTLIER -133.9 172.95 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 1.0 111.011 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 67.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 1.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . -178.47 -35.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 1.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.425 ' CG ' ' C ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER 167.82 168.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 1.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.481 ' CB ' ' HB2' ' B' ' 87' ' ' GLU . 9.4 tttm -104.19 157.47 17.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.715 HG22 HG23 ' B' ' 121' ' ' ILE . 5.0 m -155.73 146.1 21.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.471 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -125.87 117.96 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 1.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.876 HG22 HG12 ' B' ' 121' ' ' ILE . 57.9 t -100.86 166.59 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.692 ' HB3' ' ND2' ' B' ' 120' ' ' ASN . . . -137.35 71.12 53.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.506 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 164.94 32.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 1.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -126.26 117.27 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.672 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.2 m-20 -93.54 146.07 24.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.576 ' HD2' ' HB2' ' B' ' 79' ' ' ALA . 39.6 t-80 -136.24 121.62 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.545 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.468 ' CZ ' ' CD2' ' B' ' 14' ' ' TYR . 16.8 m-30 -113.99 145.61 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 137.41 48.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.77 ' CE1' HG23 ' B' ' 109' ' ' VAL . 16.2 m-85 -107.85 155.86 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -117.49 137.05 52.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 1.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -45.83 110.72 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 1.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 51.96 22.02 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.767 . . . . 1.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.496 ' O ' ' CD ' ' B' ' 108' ' ' LYS . . . -114.51 -24.15 4.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 1.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' B' ' 107' ' ' GLY . 0.0 OUTLIER 82.31 -176.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 1.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.77 HG23 ' CE1' ' B' ' 103' ' ' PHE . 46.6 t -68.57 115.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 1.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.558 ' O ' HG12 ' B' ' 110' ' ' VAL . 58.0 t -135.18 10.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.09 121.14 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 110.049 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.783 ' HE1' ' CG ' ' B' ' 30' ' ' PHE . 1.7 mtt -145.65 153.54 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -155.0 143.05 20.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.213 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -111.31 169.17 8.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.654 HD11 ' HE1' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -143.97 104.53 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.914 ' O ' HG21 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -121.79 177.56 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 111.06 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.97 -173.66 45.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 1.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.37 -27.14 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 1.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -66.3 -13.26 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.0 109.256 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.692 ' ND2' ' HB3' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -110.82 31.82 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 1.0 109.244 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.876 HG12 HG22 ' B' ' 95' ' ' VAL . 5.1 mt -122.4 149.63 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.448 ' HB2' HG12 ' B' ' 94' ' ' VAL . 4.1 m-70 -143.26 102.19 3.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 1.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.4 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -63.87 164.66 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.52 -178.54 47.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 1.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 1.0 109.283 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.48 0.181 . . . . 1.0 111.042 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -81.18 54.21 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.58 ' OG1' ' CD2' ' A' ' 6' ' ' HIS . 34.3 p -116.38 155.45 48.46 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 1.0 110.462 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.6 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.18 -43.32 78.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 1.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.58 ' CD2' ' OG1' ' A' ' 3' ' ' THR . 11.6 m-70 -71.6 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.937 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 30.8 mtm -58.29 -57.87 10.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.697 HG23 ' HB ' ' A' ' 71' ' ' VAL . 7.2 m -57.54 -48.22 79.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.75 72.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 6' ' ' HIS . 2.9 t -62.39 -43.23 97.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.618 1.198 . . . . 1.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.743 HG22 ' HZ ' ' A' ' 101' ' ' PHE . 56.0 t -58.57 -42.82 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -58.16 9.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -35.88 63.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 1.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' HH ' ' HE2' ' A' ' 55' ' ' TYR . 50.5 t80 -67.38 -48.15 68.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.694 HG21 ' CD2' ' A' ' 67' ' ' LEU . 3.0 t -54.34 -46.53 69.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 1.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.34 -62.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -44.36 -39.96 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HA ' HD11 ' A' ' 26' ' ' ILE . 30.9 tp -58.47 -55.45 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -15.13 58.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.93 -13.26 36.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.457 ' HA2' HD21 ' A' ' 59' ' ' LEU . . . 66.93 25.51 73.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.574 1.171 . . . . 1.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.596 ' O ' HD12 ' A' ' 26' ' ' ILE . 12.7 t0 -83.22 90.19 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 1.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 52' ' ' ARG . 3.6 mt -70.22 -51.69 28.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 1.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -54.67 31.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -60.49 -59.98 9.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 44.6 mt -42.0 -37.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 1.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.582 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.1 t -68.26 -49.55 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 1.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -62.82 -14.01 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.314 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -64.18 -45.49 88.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.907 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.7 p90 -115.53 -176.57 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 1.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -46.5 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -16.63 18.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 1.0 109.252 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.78 12.06 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.82 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -52.75 160.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 1.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.719 HG22 ' CB ' ' A' ' 46' ' ' SER . 31.6 p -123.0 107.73 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 1.0 110.407 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 51' ' ' ILE . 41.1 t -90.07 137.75 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -124.17 62.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.507 ' CB ' ' HB3' ' A' ' 114' ' ' ALA . 1.7 p-10 -138.92 130.42 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.1 -144.06 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.975 -2.511 . . . . 1.0 110.95 0.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.014 HG21 HG11 ' B' ' 74' ' ' VAL . 2.1 t -94.78 -178.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.359 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.69 ' H ' HG12 ' A' ' 40' ' ' VAL . . . 112.59 9.44 19.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 1.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 p 69.58 174.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 1.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 68.98 71.22 0.38 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.01 -170.4 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 1.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.571 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.5 mmt-85 -128.51 108.54 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.719 ' CB ' HG22 ' A' ' 35' ' ' THR . 82.3 p -104.62 122.38 45.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 1.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.41 172.12 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.527 HG22 HG11 ' A' ' 27' ' ' VAL . 1.3 m -74.53 -51.96 13.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 1.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.6 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -65.86 -63.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.907 HG21 ' CE1' ' A' ' 30' ' ' PHE . 97.5 mt -47.77 -47.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -62.42 -36.0 81.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.63 -52.0 67.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' HG3' ' A' ' 45' ' ' ARG . 1.2 m-30 -62.9 -63.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 1.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 59' ' ' LEU . 14.5 m-85 -49.52 -27.85 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -74.79 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -43.88 -39.79 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -52.61 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -54.46 -19.66 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 1.0 109.36 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.71 -29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.9 tp -105.42 139.59 20.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.592 1.838 . . . . 1.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 ' HE1' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -77.2 174.79 10.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.67 113.04 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.85 HG22 HG12 ' A' ' 84' ' ' VAL . 37.4 t -86.49 148.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 6.1 pt-20 -162.28 122.76 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 1.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.694 ' CD2' HG21 ' A' ' 15' ' ' VAL . 1.8 mm? -59.1 142.64 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.511 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 7.6 t -142.77 14.55 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 1.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -141.08 -96.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 178.83 179.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.921 HG22 ' CB ' ' A' ' 80' ' ' PHE . 45.2 t -122.1 128.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.495 ' NH1' ' ND2' ' B' ' 120' ' ' ASN . 8.1 mtp85 -115.36 107.31 15.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 1.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.937 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -94.59 136.79 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.76 HG11 HG21 ' B' ' 40' ' ' VAL . 1.4 t -133.28 -147.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -48.52 95.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 1.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.7 m120 39.19 30.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.228 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -124.92 160.77 28.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 1.0 110.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -151.22 110.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.6 ' HB3' HD22 ' B' ' 115' ' ' LEU . . . -125.88 114.3 18.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.921 ' CB ' HG22 ' A' ' 71' ' ' VAL . 30.7 p90 -126.06 163.4 23.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.421 1.076 . . . . 1.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -118.63 131.7 56.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.608 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 18.9 p90 -140.06 173.64 11.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 1.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.511 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.85 167.74 9.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 110.453 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.85 HG12 HG22 ' A' ' 65' ' ' VAL . 7.1 m -153.02 132.93 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -109.86 118.61 36.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 110.022 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 12.5 m-30 -107.01 97.87 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 26.1 tt0 -90.86 104.16 16.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -92.61 -176.73 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.39 67.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 1.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 107.71 16.38 13.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 1.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -129.4 156.6 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 1.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -154.19 97.78 2.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 1.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 85' ' ' SER . 1.8 m -103.94 162.01 13.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 1.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.741 HG12 ' O ' ' A' ' 94' ' ' VAL . 1.6 t -138.02 89.02 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.897 HG22 HG12 ' A' ' 121' ' ' ILE . 55.7 t -86.67 159.27 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 83' ' ' THR . . . -128.63 77.63 77.16 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -74.94 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 1.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.492 ' CG1' ' HG3' ' B' ' 72' ' ' ARG . 1.5 mt -130.4 119.47 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.684 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -88.93 143.47 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.437 ' NE2' HD11 ' B' ' 115' ' ' LEU . 0.4 OUTLIER -154.18 100.78 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.57 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.743 ' HZ ' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -127.24 177.48 6.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.739 ' O ' HG13 ' A' ' 109' ' ' VAL . 11.5 mtp180 -122.97 178.86 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.707 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -133.16 127.61 34.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 106' ' ' ALA . 26.4 t-20 -85.12 111.0 19.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 109.231 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -37.63 -31.95 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 1.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 104' ' ' ASN . . . -138.43 82.85 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 1.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . 157.08 -23.91 0.46 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 1.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.726 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER 87.54 -175.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 0.761 . . . . 1.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 102' ' ' ARG . 9.1 t -55.58 116.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.82 HG13 ' HA ' ' A' ' 34' ' ' ALA . 97.2 t -117.44 -69.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 1.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.0 m -72.57 122.93 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 1.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.49 ' CE ' HG12 ' A' ' 109' ' ' VAL . 5.2 mtt -138.32 138.18 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -140.35 135.47 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.524 ' O ' HG22 ' A' ' 40' ' ' VAL . . . -117.15 156.15 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.867 HD21 ' OE1' ' B' ' 77' ' ' GLU . 0.7 OUTLIER -136.1 151.74 50.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -166.62 146.04 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -154.15 170.07 32.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 1.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.41 -3.7 35.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 1.0 110.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.9 tptm -74.04 -4.05 33.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.085 . . . . 1.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -152.73 55.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 1.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.897 HG12 HG22 ' A' ' 95' ' ' VAL . 5.7 mt -130.58 141.66 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -129.26 81.41 2.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 1.0 109.55 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.68 122.35 27.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.35 179.48 25.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 1.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.413 0.713 . . . . 1.0 109.297 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.486 0.184 . . . . 1.0 110.924 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.66 87.98 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.714 ' O ' ' HE2' ' B' ' 7' ' ' MET . 0.6 OUTLIER -156.29 155.87 29.5 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.391 1.057 . . . . 1.0 110.425 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -42.13 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 1.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.684 ' CB ' HG23 ' B' ' 3' ' ' THR . 7.0 t-160 -70.43 -64.88 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 1.0 109.65 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.95 ' SD ' ' HB1' ' B' ' 73' ' ' ALA . 23.3 ptp -50.55 -43.02 56.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.516 ' N ' ' HG3' ' B' ' 7' ' ' MET . 97.6 m -63.09 -41.6 99.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 1.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.45 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.94 -44.42 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.352 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.697 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 2.6 t -54.38 -50.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -58.61 -43.33 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -45.05 93.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.756 ' CE1' HD21 ' B' ' 18' ' ' LEU . 85.9 t80 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.849 HG13 HG12 ' B' ' 65' ' ' VAL . 6.1 t -47.65 -47.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.82 -52.56 40.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.451 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -62.1 -33.84 75.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.756 HD21 ' CE1' ' B' ' 14' ' ' TYR . 4.6 mm? -62.92 -45.19 93.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . 0.674 ' OD1' ' HB1' ' B' ' 64' ' ' ALA . 2.6 t30 -65.9 -34.37 77.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.74 -7.3 57.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.725 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 67.43 16.77 67.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.568 1.167 . . . . 1.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.687 ' O ' HD12 ' B' ' 26' ' ' ILE . 7.7 t0 -58.96 97.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 0.728 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.8 OUTLIER -74.64 -74.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 1.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -47.99 -42.26 27.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.56 -60.92 7.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 1.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.687 HD12 ' O ' ' B' ' 22' ' ' ASP . 54.7 mt -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.953 HG13 HG23 ' B' ' 48' ' ' THR . 3.0 t -77.78 -33.52 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -85.07 -6.27 59.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 9.0 tt -63.44 -45.53 90.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.828 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.5 p90 -106.21 -177.25 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 1.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.583 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.48 169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.419 ' HA ' ' OG1' ' B' ' 48' ' ' THR . 3.4 p30 -93.56 -4.59 50.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 1.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -136.41 28.03 3.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.361 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.82 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -71.97 163.4 27.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 82.0 p -113.32 121.1 43.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.788 HG21 HG23 ' B' ' 51' ' ' ILE . 86.7 t -96.08 145.39 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.412 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 9.6 tp10 -136.65 57.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 1.0 110.213 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.796 ' HB2' ' HB3' ' B' ' 114' ' ' ALA . 1.0 OUTLIER -138.05 148.53 60.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.522 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -75.03 -65.17 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.961 -2.516 . . . . 1.0 111.008 0.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.76 HG21 HG11 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -155.14 -176.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.65 11.33 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 1.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t 65.42 -179.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 1.0 109.948 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 66.57 75.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.6 39.6 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.509 1.794 . . . . 1.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.996 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 0.7 OUTLIER -92.84 117.31 29.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 110.349 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -103.55 122.82 45.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' B' ' 49' ' ' ALA . . . 112.22 124.95 4.44 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.142 . . . . 1.0 111.088 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.953 HG23 HG13 ' B' ' 27' ' ' VAL . 2.9 m -44.38 -25.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 1.0 110.393 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -63.99 -56.55 14.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 1.0 109.356 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.996 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -65.64 -26.15 67.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 1.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.828 HG21 ' CE1' ' B' ' 30' ' ' PHE . 79.0 mt -67.37 -69.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.67 ' CB ' HG21 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -50.63 -34.61 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 1.0 110.286 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -58.97 -58.34 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 1.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -56.8 10.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.466 ' HB3' ' CD2' ' B' ' 23' ' ' LEU . 2.1 m-85 -50.55 -28.53 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -74.87 -53.96 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -60.32 -23.45 64.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 1.143 . . . . 1.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -66.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 1.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.725 HD22 ' HA2' ' B' ' 21' ' ' GLY . 0.9 OUTLIER -53.88 -19.8 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -40.06 -29.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' B' ' 86' ' ' PHE . 10.9 tp -83.12 139.3 42.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 1.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.1 Cg_endo -74.98 77.94 3.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 1.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.83 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.674 ' HB1' ' OD1' ' B' ' 19' ' ' ASN . . . -150.68 118.7 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.849 HG12 HG13 ' B' ' 15' ' ' VAL . 79.3 t -87.1 143.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -144.96 148.6 34.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.416 ' O ' ' HB ' ' B' ' 68' ' ' THR . 0.3 OUTLIER -86.71 142.71 27.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.458 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.2 t 179.14 67.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.1 OUTLIER -179.12 -147.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 50.6 mp0 -112.69 164.55 13.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.909 HG22 ' CB ' ' B' ' 80' ' ' PHE . 59.1 t -130.88 96.85 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.492 ' HG3' ' CG1' ' A' ' 98' ' ' ILE . 10.0 mmt180 -71.03 89.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 1.0 110.317 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.95 ' HB1' ' SD ' ' B' ' 7' ' ' MET . . . -90.8 156.47 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 1.014 HG11 HG21 ' A' ' 40' ' ' VAL . 2.4 p -171.55 -148.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.78 ' N ' HG13 ' B' ' 74' ' ' VAL . . . -45.36 94.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 1.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.4 OUTLIER 36.02 32.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.867 ' OE1' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -126.09 152.38 45.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 110.266 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 100' ' ' HIS . . . -147.82 119.11 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' HB2' ' B' ' 100' ' ' HIS . . . -124.93 91.43 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.909 ' CB ' HG22 ' B' ' 71' ' ' VAL . 30.4 p90 -109.2 161.38 15.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 1.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' B' ' 69' ' ' GLN . . . -115.41 124.25 50.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 1.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' B' ' 97' ' ' PRO . 9.7 p90 -123.67 -175.69 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 1.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.458 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -125.07 153.26 43.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.596 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.9 OUTLIER -127.6 121.1 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.581 ' HA ' HG23 ' B' ' 94' ' ' VAL . 3.7 m -95.19 119.32 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.71 ' CE1' HG23 ' B' ' 95' ' ' VAL . 2.5 p90 -150.98 133.87 15.85 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 1.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -129.31 142.88 50.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 1.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -158.16 144.76 17.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 1.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.92 50.02 13.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 1.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.64 20.39 12.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.446 1.091 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.03 109.24 12.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 1.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.496 ' HD2' ' HB3' ' B' ' 125' ' ' ALA . 0.0 OUTLIER -90.06 147.85 23.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.628 HG22 HG23 ' B' ' 121' ' ' ILE . 27.8 m -157.07 143.17 17.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 110.37 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.581 HG23 ' HA ' ' B' ' 85' ' ' SER . 0.5 OUTLIER -126.92 116.68 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.89 HG22 HG12 ' B' ' 121' ' ' ILE . 99.5 t -94.49 168.04 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -137.06 74.39 49.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.581 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.14 159.12 41.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 1.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' A' ' 72' ' ' ARG . 26.3 mt -109.81 116.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' B' ' 80' ' ' PHE . 1.5 m-20 -93.4 124.17 37.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -139.08 120.25 14.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.656 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.516 ' CB ' ' HA ' ' B' ' 112' ' ' MET . 5.6 p90 -156.19 169.72 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 111.072 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.585 ' O ' HG13 ' B' ' 109' ' ' VAL . 4.6 ptm180 -133.32 159.41 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.698 ' CB ' HG22 ' B' ' 109' ' ' VAL . 1.7 p90 -169.3 162.13 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 1.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.36 -175.6 3.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.73 -147.98 32.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 1.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.39 75.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 1.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.34 43.37 6.61 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.493 1.121 . . . . 1.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.458 ' C ' ' HB2' ' B' ' 103' ' ' PHE . 0.5 OUTLIER -105.28 74.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 1.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.698 HG22 ' CB ' ' B' ' 103' ' ' PHE . 2.1 t -91.37 128.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.499 ' HA ' ' CB ' ' B' ' 34' ' ' ALA . 38.6 t -128.26 3.26 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.44 121.37 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.516 ' HA ' ' CB ' ' B' ' 101' ' ' PHE . 1.1 ptm -151.85 147.8 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.512 ' HB2' ' CE1' ' B' ' 100' ' ' HIS . 1.9 mtm180 -140.48 170.03 16.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.796 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -145.1 164.38 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 1.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -134.03 106.64 7.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' B' ' 95' ' ' VAL . 8.7 t80 -112.94 75.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.07 -176.98 32.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 1.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -109.96 0.31 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 1.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.33 23.03 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 1.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.634 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 2.0 p30 -146.95 52.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.212 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.89 HG12 HG22 ' B' ' 95' ' ' VAL . 7.8 mt -133.61 143.77 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.449 ' HB2' HG12 ' B' ' 94' ' ' VAL . 7.7 m-70 -133.95 101.44 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 1.0 109.555 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.403 ' HA ' ' HG1' ' B' ' 93' ' ' THR . . . -78.36 172.72 13.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.08 173.83 39.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 1.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.496 ' HB3' ' HD2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 1.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.56 0.219 . . . . 1.0 111.04 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -163.9 66.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 1.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.517 ' O ' ' SD ' ' A' ' 7' ' ' MET . 31.0 p -92.79 155.65 41.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 1.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 1.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.612 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 13.0 pt-20 -68.42 -28.49 67.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.421 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 7.1 t60 -75.99 -65.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.585 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.832 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -52.38 -44.38 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.803 HG23 HG11 ' A' ' 71' ' ' VAL . 88.7 m -65.6 -44.23 87.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -58.57 -32.94 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.778 HG13 HD22 ' A' ' 29' ' ' LEU . 3.7 t -69.28 -48.7 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.642 HG11 ' CD2' ' A' ' 80' ' ' PHE . 2.6 t -52.92 -41.83 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -50.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -33.69 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.348 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.513 ' HB2' HD13 ' A' ' 29' ' ' LEU . 3.0 t80 -67.35 -47.12 71.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.931 HG21 ' CD2' ' A' ' 67' ' ' LEU . 3.3 t -57.95 -47.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -53.8 52.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 1.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.51 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.74 HD23 ' CG2' ' A' ' 65' ' ' VAL . 13.1 tp -57.29 -54.13 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.755 ' ND2' ' HB1' ' A' ' 64' ' ' ALA . 10.8 t-20 -57.75 -24.66 58.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.76 30.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 1.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.15 40.54 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 1.0 111.011 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.737 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.6 t0 -92.82 94.9 9.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 1.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -74.78 -75.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 1.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 5.8 t0 -50.95 -39.68 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -59.84 -60.34 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 1.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 22' ' ' ASP . 42.5 mt -52.31 -28.65 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 1.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 13.7 t -78.23 -30.05 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 1.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -84.95 -11.7 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.778 HD22 HG13 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -60.47 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 23.7 p90 -84.6 -175.44 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -49.39 177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 1.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 48' ' ' THR . 5.6 t70 -105.48 -12.15 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 1.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.17 27.14 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.646 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -75.49 178.23 6.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.556 HG22 ' HB2' ' A' ' 46' ' ' SER . 26.7 p -126.81 125.07 41.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.769 HG21 HG23 ' A' ' 51' ' ' ILE . 87.6 t -97.55 137.74 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 34.0 mt-10 -135.35 64.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.473 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -109.04 134.71 20.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.776 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -74.96 -49.33 0.23 Allowed 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.046 -2.481 . . . . 1.0 110.943 -0.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.005 HG21 HG11 ' B' ' 74' ' ' VAL . 2.4 t -115.84 -174.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.764 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -52.23 -19.47 5.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 1.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -53.32 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER 82.56 76.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 166.16 29.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.446 1.761 . . . . 1.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.41 146.1 36.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 1.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.556 ' HB2' HG22 ' A' ' 35' ' ' THR . 9.6 p -139.94 136.29 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 1.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 147.98 23.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -62.47 -12.71 23.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 0.753 . . . . 1.0 110.384 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.11 -66.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.769 HG23 HG21 ' A' ' 36' ' ' VAL . 68.0 mt -67.72 -68.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 40.0 ttm180 -50.32 -34.05 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 6.6 tt0 -62.61 -64.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 1.0 110.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.649 ' CE1' ' NH1' ' A' ' 45' ' ' ARG . 10.1 t80 -54.09 -51.77 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.06 -32.29 66.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 1.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -68.32 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -52.85 -21.11 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 1.0 109.22 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t -73.71 -59.7 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 1.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.703 HD11 HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.98 -21.48 58.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 1.0 109.356 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.36 -23.49 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.837 HD23 HD23 ' A' ' 63' ' ' LEU . 12.8 tp -79.27 134.3 59.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.757 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 70.13 5.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.837 HD23 HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -125.34 -176.41 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.755 ' HB1' ' ND2' ' A' ' 19' ' ' ASN . . . -145.77 164.9 30.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.74 ' CG2' HD23 ' A' ' 18' ' ' LEU . 91.3 t -138.63 137.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 1.2 tt0 -151.84 139.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 1.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.931 ' CD2' HG21 ' A' ' 15' ' ' VAL . 2.0 mm? -81.57 116.22 21.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -113.78 -26.63 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -87.16 -93.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.14 175.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.803 HG11 HG23 ' A' ' 8' ' ' THR . 62.0 t -115.23 123.46 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.791 ' HG3' HD12 ' B' ' 98' ' ' ILE . 3.7 mmm180 -98.21 82.38 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.832 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -88.63 126.82 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.798 HG13 ' N ' ' A' ' 75' ' ' ALA . 2.3 p -144.94 -148.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.798 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -41.56 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 1.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' VAL . 2.3 m-80 36.81 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 1.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' CD ' HD21 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -122.82 158.75 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -152.4 86.36 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 1.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.084 ' HB1' ' CE1' ' A' ' 100' ' ' HIS . . . -100.6 96.51 7.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.711 ' HB3' HG13 ' A' ' 71' ' ' VAL . 45.2 p90 -114.14 149.21 35.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 1.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.532 ' O ' HD13 ' A' ' 67' ' ' LEU . . . -108.85 125.54 52.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 1.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.737 ' CD2' HG13 ' A' ' 65' ' ' VAL . 44.1 p90 -128.89 168.67 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -111.51 144.93 39.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -118.99 129.7 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 48.8 m -108.86 120.32 42.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 1.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.898 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.7 p90 -141.51 147.0 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -113.18 119.91 39.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -94.4 -174.0 3.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 1.0 111.0 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.47 92.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 1.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 52.22 49.77 49.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 1.0 111.004 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -159.27 157.04 29.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 1.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -123.63 137.42 54.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 1.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.604 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 87.1 m -146.47 143.83 29.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -130.08 122.95 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.898 HG23 ' CE1' ' A' ' 86' ' ' PHE . 21.7 t -103.12 170.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.968 ' HB3' ' ND2' ' A' ' 120' ' ' ASN . . . -143.46 68.59 17.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.567 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 18.3 Cg_endo -75.0 161.34 38.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 1.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.707 HD12 ' HG3' ' B' ' 72' ' ' ARG . 10.6 mt -114.05 116.0 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 1.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -89.78 135.99 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 1.084 ' CE1' ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -122.71 93.94 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 1.0 109.603 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 11' ' ' VAL . 6.0 m-30 -90.08 147.48 23.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -131.16 116.38 17.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -82.94 123.75 29.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 1.0 111.052 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -159.28 -161.3 0.92 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 1.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.512 ' HA3' HG21 ' A' ' 110' ' ' VAL . . . 60.08 20.5 54.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 1.0 111.08 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.21 29.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 1.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -136.31 -42.77 0.11 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 1.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER 164.91 -167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 1.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 102' ' ' ARG . 18.0 t -51.57 116.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 108' ' ' LYS . 76.0 t -110.33 -4.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 1.0 109.384 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -160.4 132.95 6.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 1.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.569 ' HB2' ' CD1' ' A' ' 101' ' ' PHE . 5.0 ptp -151.57 133.13 14.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.475 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -133.99 142.53 47.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -101.96 168.15 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' B' ' 77' ' ' GLU . 0.3 OUTLIER -142.67 106.49 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.361 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 39' ' ' PRO . 6.5 m-85 -100.76 -175.4 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.66 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -169.14 172.6 43.43 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.527 1.142 . . . . 1.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.4 -7.6 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 1.0 110.304 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.38 17.62 20.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.968 ' ND2' ' HB3' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -122.07 24.78 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.66 HD11 ' O ' ' A' ' 117' ' ' GLY . 2.0 mt -126.51 149.48 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.9 OUTLIER -141.6 102.63 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.638 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.79 170.14 16.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 1.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.7 179.37 39.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.441 1.088 . . . . 1.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.74 . . . . 1.0 109.354 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' B' ' 106' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.197 . . . . 1.0 110.985 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 170.11 103.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.846 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -151.1 153.26 32.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 110.404 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.584 ' HA ' ' CG ' ' B' ' 7' ' ' MET . 18.2 Cg_endo -75.06 -36.24 2.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 1.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.3 pt-20 -61.64 -30.12 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 1.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.846 ' HB2' HG23 ' B' ' 3' ' ' THR . 9.1 m170 -80.51 -67.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.565 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.74 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 1.5 ptm -48.08 -40.05 22.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 1.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.665 HG23 HG11 ' B' ' 71' ' ' VAL . 55.8 m -71.68 -49.73 36.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 1.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -53.76 -36.06 61.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 1.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.917 HG13 HD22 ' B' ' 29' ' ' LEU . 5.2 t -69.84 -47.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.589 HG13 ' CE1' ' B' ' 80' ' ' PHE . 2.5 t -50.55 -39.76 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -67.82 -56.27 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -54.28 -29.12 46.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 1.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.503 ' HH ' ' HE2' ' B' ' 55' ' ' TYR . 7.6 t80 -71.81 -52.04 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 1.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 t -52.5 -46.48 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.21 70.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.506 ' O ' HD11 ' B' ' 26' ' ' ILE . . . -55.75 -24.7 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.692 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.0 tp -78.11 -48.2 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.196 . . . . 1.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -56.83 -31.51 64.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 1.0 109.418 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.49 -24.94 36.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 1.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 70.48 52.48 16.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 1.0 111.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' B' ' 17' ' ' ALA . 3.8 p30 -110.8 89.24 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.705 HD21 HD12 ' B' ' 59' ' ' LEU . 7.1 mt -59.93 -41.44 91.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.14 -55.04 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -65.31 -63.44 4.12 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 1.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.708 HG22 ' HE2' ' B' ' 30' ' ' PHE . 71.1 mt -40.89 -38.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 1.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 23' ' ' LEU . 24.3 t -68.66 -48.84 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 1.0 109.23 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -64.5 -12.0 39.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.917 HD22 HG13 ' B' ' 10' ' ' VAL . 0.4 OUTLIER -70.02 -65.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.708 ' HE2' HG22 ' B' ' 26' ' ' ILE . 28.5 p90 -90.73 -176.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -50.84 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' B' ' 48' ' ' THR . 0.2 OUTLIER -110.76 5.74 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -145.79 19.85 1.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 1.0 109.383 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.605 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -64.84 -177.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.691 HG22 ' CB ' ' B' ' 46' ' ' SER . 61.7 p -133.66 121.74 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.764 HG23 HG12 ' B' ' 51' ' ' ILE . 29.4 t -98.94 137.83 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' B' ' 113' ' ' ARG . 7.2 tp10 -140.74 92.72 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.6 OUTLIER -147.47 145.58 22.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 1.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.583 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.2 Cg_endo -75.01 -63.53 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.027 -2.489 . . . . 1.0 111.004 0.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.583 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -160.99 166.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 1.0 109.288 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 119.02 5.69 11.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 1.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.5 m 84.97 -178.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 1.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 76.8 69.86 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -177.74 3.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 1.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.529 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 4.6 mmm-85 -139.71 98.21 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.691 ' CB ' HG22 ' B' ' 35' ' ' THR . 24.6 p -92.31 140.59 29.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.21 147.12 20.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 1.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.487 ' CG2' HG13 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -61.8 -21.46 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 1.0 110.421 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -70.25 -60.48 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 1.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -63.16 -34.23 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.764 HG12 HG23 ' B' ' 36' ' ' VAL . 52.6 mt -66.32 -68.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 17.3 ttp180 -52.1 -33.69 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 1.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 19.6 mt-10 -63.62 -44.34 94.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 1.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -54.82 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.592 ' HE1' HG11 ' B' ' 36' ' ' VAL . 20.7 m-85 -59.96 -28.05 67.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 1.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -78.26 -73.66 0.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 1.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.55 -29.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.41 ' N ' ' C ' ' B' ' 56' ' ' ALA . 98.5 p -82.96 -45.74 13.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 1.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.705 HD12 HD21 ' B' ' 23' ' ' LEU . 7.3 mt -55.55 -20.95 14.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 1.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' B' ' 63' ' ' LEU . 10.0 tp -96.69 140.5 22.18 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.98 55.39 3.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.407 1.74 . . . . 1.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.62 ' CD2' HD23 ' B' ' 61' ' ' LEU . 26.2 mt -53.8 166.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.928 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -141.32 64.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' B' ' 84' ' ' VAL . 33.0 t -76.55 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 1.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.74 146.06 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 1.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' B' ' 68' ' ' THR . 3.1 mt -74.6 156.0 37.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' B' ' 69' ' ' GLN . 0.1 OUTLIER 174.65 57.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -167.95 -92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.425 ' HG3' ' NH1' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -167.93 161.72 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.91 HG22 ' CB ' ' B' ' 80' ' ' PHE . 96.1 t -127.16 117.12 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.707 ' HG3' HD12 ' A' ' 98' ' ' ILE . 16.1 mmp_? -89.37 82.15 6.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.74 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -90.83 114.06 26.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 1.005 HG11 HG21 ' A' ' 40' ' ' VAL . 1.4 t -136.41 -146.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.476 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -44.37 90.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 74' ' ' VAL . 26.0 m-20 35.35 35.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 1.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.64 ' HB3' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -132.95 105.32 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 1.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.22 95.26 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.562 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -107.21 97.34 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.91 ' CB ' HG22 ' B' ' 71' ' ' VAL . 48.4 p90 -117.16 161.9 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.487 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -114.21 126.54 55.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.469 ' HD2' HG13 ' B' ' 65' ' ' VAL . 36.7 p90 -130.25 -177.92 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 1.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.487 ' O ' HG13 ' B' ' 65' ' ' VAL . 0.0 OUTLIER -118.83 158.88 24.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.67 HG22 ' O ' ' B' ' 84' ' ' VAL . 0.3 OUTLIER -136.78 100.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 1.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.928 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -79.96 126.45 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 1.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.644 ' CE1' HG23 ' B' ' 95' ' ' VAL . 5.5 p90 -155.65 137.07 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.468 ' CG ' ' HG2' ' B' ' 92' ' ' LYS . 25.3 tt0 -117.77 128.01 54.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.514 ' O ' ' N ' ' B' ' 90' ' ' GLY . 1.2 m-85 -101.46 162.08 13.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -63.82 70.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 173.17 -32.54 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 1.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -179.06 179.64 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 0.789 . . . . 1.0 110.315 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.602 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 3.8 mttp -100.88 158.37 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 28.2 m -156.74 154.41 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 110.395 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.461 ' O ' HG13 ' B' ' 94' ' ' VAL . 8.1 p -142.9 117.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 1.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.661 ' HB ' HG13 ' B' ' 84' ' ' VAL . 21.7 t -94.89 165.58 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.46 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -138.92 67.95 42.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.586 ' HB3' ' CD1' ' B' ' 116' ' ' PHE . 18.1 Cg_endo -75.04 162.41 37.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 1.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.791 HD12 ' HG3' ' A' ' 72' ' ' ARG . 33.4 mt -112.64 116.4 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 1.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.583 ' HB2' ' CZ ' ' B' ' 80' ' ' PHE . 1.0 OUTLIER -87.24 142.59 27.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 1.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 11.3 t-80 -140.65 95.1 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 109.605 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 15.7 m-30 -96.02 140.98 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 1.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 114.61 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 16.4 m-85 -88.79 167.09 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.39 -177.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 58.94 -155.73 25.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 1.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' B' ' 1' ' ' MET . . . -40.86 -38.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.16 59.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 1.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -136.15 165.14 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 0.794 . . . . 1.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 17.4 t -93.0 119.13 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.533 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 77.0 t -115.93 -8.26 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . 0.45 ' OG ' ' NH2' ' B' ' 113' ' ' ARG . 4.8 t -147.92 133.23 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 1.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 133.76 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.471 ' HG2' ' CG ' ' B' ' 37' ' ' GLU . 3.7 mtt85 -133.51 148.3 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 39' ' ' PRO . . . -117.97 161.98 18.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.494 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.5 mp -137.82 120.36 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' B' ' 97' ' ' PRO . 3.9 m-85 -110.98 -175.74 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.98 39.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 1.0 111.033 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.87 -69.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 1.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -60.28 -14.72 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 1.0 109.237 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.559 ' ND2' ' CZ ' ' A' ' 72' ' ' ARG . 2.0 t-20 -54.91 -19.09 5.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' B' ' 93' ' ' THR . 3.6 mt -96.2 134.91 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.1 OUTLIER -125.34 92.64 3.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 1.0 109.61 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.495 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -61.96 169.83 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . 171.8 173.11 38.39 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.49 1.119 . . . . 1.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.602 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 1.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.752 ' O ' HG23 ' A' ' 3' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.473 0.178 . . . . 1.0 111.038 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -59.09 87.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 1' ' ' MET . 46.7 p -98.44 155.47 36.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 1.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -32.49 5.31 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.526 1.803 . . . . 1.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.2 -46.91 86.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 1.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.412 ' HD2' HG23 ' A' ' 10' ' ' VAL . 2.1 t-160 -71.58 -45.37 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.543 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.827 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 11.5 mtm -53.62 -50.68 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -64.1 -48.41 76.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.34 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 1.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG13 HD21 ' A' ' 29' ' ' LEU . 4.4 t -68.78 -40.71 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.2 t -57.42 -42.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -52.43 50.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 1.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB3' HD11 ' A' ' 29' ' ' LEU . 6.8 ttm180 -56.79 -35.29 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 110.232 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.519 ' HA ' HD13 ' A' ' 29' ' ' LEU . 11.2 t80 -65.67 -54.1 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 1.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.814 HG11 ' HA ' ' A' ' 66' ' ' GLU . 80.9 t -58.46 -61.2 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.47 -45.12 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 1.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' HG12 ' A' ' 26' ' ' ILE . . . -60.19 -37.75 81.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.203 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.53 ' HA ' HD11 ' A' ' 26' ' ' ILE . 23.5 tp -62.97 -57.65 10.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.59 -23.88 59.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 1.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.09 46.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 1.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 86.32 46.05 5.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 1.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -98.65 91.83 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 0.796 . . . . 1.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.94 HD11 ' HB2' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -67.03 -69.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -35.07 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.372 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.15 -62.07 6.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 1.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.575 HG21 ' HE2' ' A' ' 55' ' ' TYR . 51.2 mt -53.22 -45.8 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 23' ' ' LEU . 59.5 t -60.41 -30.62 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 1.0 109.228 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.15 -21.07 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.26 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 10' ' ' VAL . 4.2 tt -56.71 -49.27 75.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CZ ' ' HA ' ' A' ' 27' ' ' VAL . 7.6 p90 -108.69 -175.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.627 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -44.84 167.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 1.01 ' O ' HG23 ' A' ' 48' ' ' THR . 1.7 m-20 -98.19 -10.82 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 1.0 109.395 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.11 15.27 9.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -56.85 160.7 3.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 1.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.556 HG22 ' CB ' ' A' ' 46' ' ' SER . 69.7 p -112.95 142.49 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' PRO . 3.1 t -116.41 153.53 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 1.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 3.3 tm-20 -159.49 60.17 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -129.65 134.87 26.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.378 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.609 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 18.3 Cg_endo -75.08 -69.12 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.065 -2.473 . . . . 1.0 111.017 0.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.868 HG21 HG11 ' B' ' 74' ' ' VAL . 0.1 OUTLIER -156.78 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.283 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 123.87 0.09 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.401 1.063 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 85.54 -172.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 109.989 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 42' ' ' SER . 10.7 pt-20 42.4 81.49 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 1.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.04 154.1 42.08 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.451 1.764 . . . . 1.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -104.37 105.67 15.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.556 ' CB ' HG22 ' A' ' 35' ' ' THR . 11.6 p -110.11 166.65 10.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 91.99 125.1 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.01 HG23 ' O ' ' A' ' 32' ' ' ASP . 9.9 p -41.29 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 1.0 110.411 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -66.09 -61.97 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -59.94 -50.16 74.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.511 HG23 ' CE1' ' A' ' 55' ' ' TYR . 3.6 mt -56.44 -31.02 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.735 ' HG3' HD12 ' A' ' 23' ' ' LEU . 10.2 ttt180 -74.76 -73.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 1.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -45.84 -30.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 15.8 t80 -72.81 -67.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' HE2' HG21 ' A' ' 26' ' ' ILE . 5.8 m-85 -47.72 -42.21 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 1.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -64.59 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -45.34 -26.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' ALA . 3.8 t -79.64 -43.04 23.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -62.18 -24.25 67.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -22.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HD2' ' A' ' 62' ' ' PRO . 9.6 tp -98.16 140.27 21.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 1.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.535 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.07 55.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.427 1.751 . . . . 1.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.044 HD11 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -93.41 144.95 24.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.518 1.136 . . . . 1.0 109.349 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.874 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -121.64 105.0 10.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 1.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.044 HG23 HD11 ' A' ' 63' ' ' LEU . 5.9 t -103.88 140.78 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 1.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.814 ' HA ' HG11 ' A' ' 15' ' ' VAL . 8.6 tt0 -172.95 147.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.408 1.068 . . . . 1.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 67' ' ' LEU . 2.3 pp -77.06 157.77 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.17 53.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 1.0 110.451 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -166.02 -98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.67 161.01 38.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 1.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.927 HG22 ' CB ' ' A' ' 80' ' ' PHE . 62.4 t -129.42 118.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 1.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -86.46 74.32 9.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.827 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -90.54 77.66 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 1.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.921 HG13 HG21 ' B' ' 40' ' ' VAL . 10.0 p -141.29 155.53 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.609 ' HB3' HG11 ' B' ' 40' ' ' VAL . . . 54.26 49.92 17.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 46.38 33.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 1.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' OE1' ' NE2' ' A' ' 100' ' ' HIS . 1.2 mt-10 -136.05 125.7 25.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 1.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.76 88.3 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 1.0 109.234 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . . . -101.95 84.51 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.927 ' CB ' HG22 ' A' ' 71' ' ' VAL . 38.8 p90 -107.07 165.07 11.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -111.65 130.95 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.781 ' CD2' HG13 ' A' ' 65' ' ' VAL . 44.8 p90 -136.23 160.78 37.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -101.52 165.15 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.691 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -149.21 113.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.85 122.28 40.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.618 ' CZ ' ' HB ' ' A' ' 93' ' ' THR . 2.9 p90 -140.38 134.04 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -104.11 120.63 41.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -95.3 -175.02 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 111.006 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 89' ' ' GLN . 4.6 pt20 -54.68 87.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.247 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 68.29 41.32 86.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 1.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.422 ' CG ' ' C ' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -154.84 162.59 41.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 1.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -146.67 124.69 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.618 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 17.2 m -135.04 154.69 51.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -132.65 113.16 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.75 HG22 ' CG1' ' A' ' 121' ' ' ILE . 79.1 t -98.08 148.79 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' B' ' 72' ' ' ARG . . . -126.4 68.89 67.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 1.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.684 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.2 Cg_endo -75.08 170.36 20.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 1.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.582 HD11 ' CZ ' ' B' ' 72' ' ' ARG . 67.4 mt -114.85 117.42 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.569 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.2 m-20 -89.12 125.82 35.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 77' ' ' GLU . 1.1 t-80 -121.52 104.62 9.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 1.0 109.651 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 101' ' ' PHE . 8.1 m-30 -99.69 162.52 12.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 1.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.435 HH21 ' CE1' ' A' ' 100' ' ' HIS . 5.3 ttm180 -127.58 127.2 43.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 1.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.77 ' CZ ' HG23 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -111.07 113.67 26.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.53 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.4 OUTLIER -169.71 -87.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.922 ' HA3' HG21 ' A' ' 110' ' ' VAL . . . -25.64 137.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.577 1.173 . . . . 1.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 42.48 41.84 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 1.0 109.251 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 104' ' ' ASN . . . 40.56 47.21 3.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 1.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.28 -176.57 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 1.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.77 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 21.2 t -65.53 129.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.922 HG21 ' HA3' ' A' ' 105' ' ' GLY . 52.4 t -134.8 10.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.0 146.29 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.525 ' HE2' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -159.19 103.65 1.65 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.067 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 9.2 mtt180 -117.31 173.63 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -142.77 159.79 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 1.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.408 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.8 OUTLIER -140.62 103.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.8 OUTLIER -114.82 125.17 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.684 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -91.14 -172.36 43.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -108.24 5.65 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 1.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.48 11.14 10.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 1.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.488 ' C ' HD12 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -120.04 35.68 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 1.0 109.329 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.75 ' CG1' HG22 ' A' ' 95' ' ' VAL . 5.1 mp -132.48 148.97 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 1.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.474 ' HB2' HG12 ' A' ' 94' ' ' VAL . 4.4 m-70 -130.02 104.69 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.82 158.68 15.74 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 1.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.75 174.98 44.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 1.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 1.0 109.239 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.447 0.165 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 72.36 54.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 38.4 p -95.32 155.58 38.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.37 2.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 1.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 2.8 mt-10 -66.11 -39.24 89.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.895 ' O ' HG23 ' B' ' 10' ' ' VAL . 15.1 t60 -70.67 -48.12 56.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 1.0 109.607 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' B' ' 77' ' ' GLU . 62.9 mtm -59.9 -60.45 3.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -54.84 -42.48 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -61.71 -36.4 80.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 1.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 6' ' ' HIS . 48.9 t -66.38 -38.35 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.595 HG22 ' CE1' ' B' ' 80' ' ' PHE . 5.5 t -62.85 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.626 1.204 . . . . 1.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -37.79 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.76 -45.0 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.76 HG13 ' CG1' ' B' ' 65' ' ' VAL . 3.0 t -61.82 -46.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.1 -60.7 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 21' ' ' GLY . . . -49.6 -44.86 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.734 HD23 HG21 ' B' ' 65' ' ' VAL . 16.4 tp -54.42 -55.15 31.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -62.01 -20.42 63.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.2 -16.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' B' ' 17' ' ' ALA . . . 67.46 31.19 76.13 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.103 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.464 ' C ' HD12 ' B' ' 26' ' ' ILE . 68.2 m-20 -82.53 73.1 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 0.76 . . . . 1.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.892 ' O ' HG23 ' B' ' 27' ' ' VAL . 30.8 mt -51.66 -34.74 39.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.39 -33.02 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 1.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.602 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 26.2 mt -72.83 -48.64 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 1.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 23' ' ' LEU . 71.4 t -63.1 -16.79 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.88 -26.87 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.25 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.59 -39.83 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.843 ' HE1' HD13 ' B' ' 51' ' ' ILE . 4.9 p90 -116.7 -174.67 2.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.663 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -50.27 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -100.9 -20.03 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -126.38 38.89 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -78.62 156.25 29.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 1.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.872 HG22 ' HB3' ' B' ' 46' ' ' SER . 24.6 p -104.32 124.84 49.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.804 HG13 ' HB2' ' B' ' 112' ' ' MET . 2.0 t -119.04 140.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 1.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HG3' ' CG ' ' B' ' 113' ' ' ARG . 9.0 pt-20 -134.13 102.39 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' B' ' 54' ' ' PHE . 1.0 OUTLIER -119.42 136.31 24.52 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.807 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -75.01 -46.58 0.36 Allowed 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 1.0 110.968 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.921 HG21 HG13 ' A' ' 74' ' ' VAL . 2.0 t -116.02 -170.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 1.0 109.365 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.797 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -50.12 -20.55 3.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.4 p -53.87 88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 1.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 41' ' ' GLY . 3.0 mm-40 81.5 78.76 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 1.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.538 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 3.4 mmt-85 -155.2 176.53 12.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.872 ' HB3' HG22 ' B' ' 35' ' ' THR . 77.4 p -170.31 156.07 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 1.0 110.002 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.36 153.67 30.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.747 HG22 ' CG1' ' B' ' 27' ' ' VAL . 39.8 p -59.8 -17.09 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 1.0 110.446 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -61.41 -33.13 73.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.843 HD13 ' HE1' ' B' ' 30' ' ' PHE . 9.4 mt -59.39 -62.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -62.05 -32.76 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.85 -43.13 98.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 1.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' B' ' 38' ' ' ASP . 0.3 OUTLIER -70.79 -60.08 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 1.0 111.078 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.953 ' O ' HD12 ' B' ' 59' ' ' LEU . 16.3 m-85 -54.46 -28.4 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 1.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -79.47 -50.08 11.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 1.0 109.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -48.87 -40.18 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 -49.91 15.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.962 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.953 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.4 OUTLIER -53.87 -19.78 4.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -40.02 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 1.0 109.228 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' B' ' 88' ' ' TYR . 15.8 tp -111.35 133.76 21.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.44 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.5 Cg_endo -74.96 65.38 6.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 1.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 1.196 HD23 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.48 175.18 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.82 100.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.76 ' CG1' HG13 ' B' ' 15' ' ' VAL . 2.6 t -72.16 153.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -171.66 133.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.59 170.77 15.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.539 HG22 ' OG1' ' B' ' 83' ' ' THR . 0.1 OUTLIER -171.6 -45.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 110.412 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.45 -97.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.619 ' CD ' HH21 ' B' ' 72' ' ' ARG . 0.0 OUTLIER 176.68 -178.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 1.0 110.283 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.926 HG22 ' CB ' ' B' ' 80' ' ' PHE . 66.4 t -122.82 142.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.619 HH21 ' CD ' ' B' ' 70' ' ' GLU . 0.9 OUTLIER -118.91 88.73 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' B' ' 77' ' ' GLU . . . -88.47 137.6 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.868 HG11 HG21 ' A' ' 40' ' ' VAL . 1.6 t -148.07 -144.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.516 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -47.86 94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.3 OUTLIER 38.72 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 1.9 mm-40 -123.16 156.31 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.51 95.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 1.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -112.75 110.15 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 1.0 109.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.926 ' CB ' HG22 ' B' ' 71' ' ' VAL . 47.3 p90 -125.79 162.8 24.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.477 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -115.7 121.71 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 1.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' B' ' 97' ' ' PRO . 35.2 p90 -123.57 169.25 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.539 ' OG1' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -114.4 163.97 14.6 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 1.0 110.402 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.746 ' CG2' ' CE2' ' B' ' 86' ' ' PHE . 0.9 OUTLIER -152.64 128.92 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 1.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' B' ' 93' ' ' THR . 0.5 OUTLIER -98.87 98.41 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 1.0 110.019 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 1.196 ' CE1' HD23 ' B' ' 63' ' ' LEU . 44.0 m-85 -83.51 93.2 7.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 111.052 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 37.2 tt0 -91.82 103.13 15.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.782 ' HA ' HD11 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -91.74 -177.69 4.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 1.0 111.009 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -64.39 66.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 108.99 18.24 9.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 1.0 111.024 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.8 OUTLIER -131.08 155.03 47.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 0.751 . . . . 1.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 0.0 OUTLIER -148.02 98.82 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 1.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' B' ' 85' ' ' SER . 1.3 m -106.09 158.68 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 1.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.721 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.1 t -134.72 93.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 1.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.943 HG22 HG12 ' B' ' 121' ' ' ILE . 65.6 t -92.07 143.24 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -125.33 70.29 62.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.888 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.1 Cg_endo -75.04 160.58 39.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.539 1.81 . . . . 1.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.49 HD12 ' HD2' ' A' ' 72' ' ' ARG . 11.7 mt -112.66 115.11 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.591 ' OD2' ' CZ ' ' B' ' 101' ' ' PHE . 1.5 t70 -86.8 145.94 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.437 ' NE2' ' OE2' ' B' ' 77' ' ' GLU . 15.7 t-160 -139.64 111.66 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.591 ' CZ ' ' OD2' ' B' ' 99' ' ' ASP . 17.8 m-85 -107.28 140.13 40.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 1.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.5 ' CZ ' ' OG ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -126.84 102.93 7.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 1.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' B' ' 109' ' ' VAL . 3.1 m-85 -73.36 147.45 44.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' B' ' 103' ' ' PHE . 3.8 m120 -163.92 -156.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' B' ' 106' ' ' ALA . . . 45.46 57.38 5.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 1.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 105' ' ' GLY . . . 76.36 -72.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 0.751 . . . . 1.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.86 74.74 0.19 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.149 . . . . 1.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -168.87 137.94 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 1.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' B' ' 103' ' ' PHE . 47.2 t -70.18 116.6 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' B' ' 31' ' ' ALA . 84.1 t -124.89 2.15 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 1.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . 0.5 ' OG ' ' CZ ' ' B' ' 102' ' ' ARG . 0.6 OUTLIER -136.81 128.71 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 1.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.804 ' HB2' HG13 ' B' ' 36' ' ' VAL . 2.0 mpt? -141.01 134.87 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HG3' ' B' ' 37' ' ' GLU . 3.9 tmm_? -154.32 142.72 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -111.19 174.82 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.634 ' HA ' HG22 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -148.86 95.8 2.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -101.49 -174.33 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.622 ' O ' HD12 ' B' ' 121' ' ' ILE . . . -175.18 -176.44 43.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.447 1.092 . . . . 1.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -110.52 12.39 22.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 0.788 . . . . 1.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 10.27 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.545 ' N ' HD22 ' B' ' 120' ' ' ASN . 1.2 m-80 -129.99 17.62 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 1.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.943 HG12 HG22 ' B' ' 95' ' ' VAL . 13.2 mt -111.42 139.01 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 1.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 1.6 m-70 -127.13 77.08 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 1.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.411 ' HA ' ' OG1' ' B' ' 93' ' ' THR . . . -79.69 124.72 28.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 125' ' ' ALA . . . -149.36 173.37 29.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 1.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.497 0.189 . . . . 1.0 111.002 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 103' ' ' PHE . 12.8 t-20 -122.25 179.49 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -142.38 154.86 64.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.774 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 18.2 Cg_endo -74.99 -28.48 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 1.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -47.65 81.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 1.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.686 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.5 m170 -72.24 -45.02 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 1.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.811 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.29 -51.75 63.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 1.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.82 -50.18 71.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 1.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.08 -43.26 51.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 6' ' ' HIS . 76.7 t -61.78 -50.78 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.638 HG22 ' CE1' ' A' ' 80' ' ' PHE . 10.8 t -52.45 -39.27 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.91 -54.77 37.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.207 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -39.19 72.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 1.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.25 -50.23 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -56.46 -55.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.182 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.56 43.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.037 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -60.16 -26.63 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' O ' HD21 ' A' ' 59' ' ' LEU . 9.4 tp -71.56 -53.35 14.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 1.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.6 -35.41 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 1.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -70.31 -30.8 67.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' HA2' HD22 ' A' ' 59' ' ' LEU . . . 80.91 47.24 6.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 1.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 1.037 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -108.07 87.36 2.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.747 . . . . 1.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.5 mt -63.39 -52.82 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -46.88 -47.0 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.65 -60.81 6.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.597 1.186 . . . . 1.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 22' ' ' ASP . 2.1 mt -42.36 -39.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 1.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.908 HG21 ' HG3' ' A' ' 52' ' ' ARG . 74.7 t -66.06 -49.0 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.52 -12.61 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.536 HD21 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -65.88 -44.43 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.932 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.6 p90 -115.83 -176.08 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.682 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -48.55 172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 1.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.674 ' O ' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -99.97 -11.0 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 1.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -121.15 9.57 10.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -52.5 162.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.456 HG23 ' CB ' ' A' ' 46' ' ' SER . 1.5 m -117.56 115.58 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 1.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.843 HG13 ' HG3' ' A' ' 112' ' ' MET . 3.5 t -109.2 139.78 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 109.195 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -137.9 112.16 8.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.681 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 2.6 t0 -155.22 140.01 11.96 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.681 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.07 -80.88 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.955 -2.519 . . . . 1.0 110.95 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.1 OUTLIER -155.78 151.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 1.0 109.246 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.601 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 160.37 -60.94 0.3 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 1.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.6 m 151.19 68.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 1.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.93 80.92 0.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 1.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 176.6 9.71 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 1.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.621 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 4.6 mtp180 -142.82 106.96 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' CB ' HG23 ' A' ' 35' ' ' THR . 0.4 OUTLIER -103.41 129.48 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.02 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 50' ' ' ALA . . . 112.62 122.86 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.459 1.1 . . . . 1.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -40.29 -28.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 1.0 110.401 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -63.4 -52.97 59.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -69.17 -36.5 77.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.932 HG21 ' CE1' ' A' ' 30' ' ' PHE . 36.3 mt -57.83 -49.81 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.908 ' HG3' HG21 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -62.68 -47.86 81.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 1.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -43.86 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 1.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -69.27 -68.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 1.0 110.956 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.617 ' O ' HD12 ' A' ' 59' ' ' LEU . 8.4 m-85 -44.19 -26.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.07 -57.62 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -56.57 -18.92 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t -80.13 -62.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -57.83 -17.68 17.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 1.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -23.99 2.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 1.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 63' ' ' LEU . 9.0 tp -87.83 122.44 70.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.785 HD22 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -155.37 -178.85 7.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 1.0 109.298 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.785 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -121.26 147.23 45.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.567 HG22 ' HB ' ' A' ' 84' ' ' VAL . 20.9 t -124.62 139.44 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -156.95 149.84 23.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 2.5 mt -85.07 178.49 7.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.489 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER 174.16 -33.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 1.5 tm0? -74.59 -78.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.54 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER 161.81 -173.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 1.0 110.254 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.925 HG22 ' CB ' ' A' ' 80' ' ' PHE . 57.6 t -127.72 148.53 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.512 ' CZ ' ' ND2' ' B' ' 120' ' ' ASN . 1.4 tpp180 -125.13 87.13 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 110.274 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.811 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -85.8 127.2 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.719 HG12 HD23 ' B' ' 115' ' ' LEU . 0.3 OUTLIER 179.92 158.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.68 ' HB2' ' HB ' ' B' ' 40' ' ' VAL . . . 51.17 54.85 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ALA . 40.8 m-20 39.64 30.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 3.1 mt-10 -141.86 128.86 20.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.751 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -100.17 106.64 18.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.919 ' HB2' ' ND1' ' A' ' 100' ' ' HIS . . . -110.77 100.46 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.925 ' CB ' HG22 ' A' ' 71' ' ' VAL . 19.0 p90 -118.15 159.67 22.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 1.0 110.977 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.644 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . . . -123.47 138.26 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 3.0 p90 -140.81 -176.26 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.489 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -120.58 164.28 16.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.0 110.453 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.567 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -145.89 123.22 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.61 112.65 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 95' ' ' VAL . 4.4 p90 -142.44 137.6 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 1.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -116.23 130.12 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 1.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 90' ' ' GLY . 3.4 t80 -105.93 167.47 9.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 1.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 172.89 -32.4 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 1.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.47 -179.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 1.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.907 ' HB3' ' HB3' ' A' ' 125' ' ' ALA . 17.9 tttt -90.49 159.6 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 123' ' ' ALA . 13.0 m -157.52 144.03 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 1.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.482 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.4 p -126.65 113.85 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.106 HG22 HG23 ' A' ' 121' ' ' ILE . 97.7 t -97.34 158.27 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 1.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -129.35 75.73 79.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.58 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.4 Cg_endo -75.01 169.45 22.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.774 HD13 ' NE ' ' B' ' 72' ' ' ARG . 2.2 mt -136.34 141.98 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -118.46 131.37 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.919 ' ND1' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -120.6 82.86 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 1.0 109.644 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 10.1 m-30 -68.41 147.02 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 1.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.37 102.71 8.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.321 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.737 ' CZ ' HG23 ' A' ' 109' ' ' VAL . 1.3 m-85 -91.26 124.68 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 1.5 m120 152.06 -92.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 109.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 30.47 -145.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.118 . . . . 1.0 111.001 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.47 -30.42 29.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 1.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . 163.28 93.84 0.1 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 1.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.726 ' O ' HG23 ' A' ' 110' ' ' VAL . 8.9 mttt 92.66 -172.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 0.764 . . . . 1.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.737 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 21.5 t -40.83 116.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 1.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 108' ' ' LYS . 29.9 t -136.38 13.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 1.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -174.01 160.74 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 110.026 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.843 ' HG3' HG13 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -166.67 124.82 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -112.21 120.92 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 1.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -99.56 162.25 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.467 ' HG ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -156.17 121.07 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -160.17 173.52 15.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.068 . . . . 1.0 111.044 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.606 ' HA2' HD11 ' A' ' 121' ' ' ILE . . . 80.75 177.84 51.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 1.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.813 ' HB2' HG23 ' B' ' 74' ' ' VAL . 3.2 mt-10 61.79 63.1 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.603 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 96.59 -23.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.429 ' HB2' ' N ' ' A' ' 117' ' ' GLY . 0.2 OUTLIER -69.42 -9.33 53.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 1.106 HG23 HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -98.73 139.45 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 123' ' ' ALA . 88.0 m-70 -135.17 92.98 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 1.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.761 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -49.14 176.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' ALA . . . 168.88 172.78 36.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 1.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.907 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 1.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.534 0.207 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.62 113.66 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 1.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -126.59 155.53 74.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -21.51 15.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 41.0 tp10 -68.18 -47.72 67.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' B' ' 105' ' ' GLY . 4.6 t-160 -75.0 -42.53 57.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 1.0 109.632 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.467 ' HA ' ' CZ ' ' B' ' 103' ' ' PHE . 0.1 OUTLIER -61.24 -56.55 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -62.4 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 1.0 110.475 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -54.11 -41.24 68.1 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.417 1.073 . . . . 1.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.17 -51.81 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.65 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 2.5 t -51.56 -43.15 31.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -62.59 -46.35 88.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -40.31 85.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.26 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -63.37 -45.38 91.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.87 -52.49 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.639 ' HB1' ' OD1' ' B' ' 22' ' ' ASP . . . -43.35 -37.98 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.624 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.2 tp -64.65 -51.6 61.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 1.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.36 -49.66 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.44 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.62 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 73.79 47.59 19.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 1.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.639 ' OD1' ' HB1' ' B' ' 17' ' ' ALA . 4.5 p30 -96.67 106.92 19.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 1.0 109.228 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.809 HD12 ' HG3' ' B' ' 52' ' ' ARG . 0.1 OUTLIER -73.64 -58.51 3.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.0 -32.33 53.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 1.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -72.27 -70.15 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.624 HD11 ' HA ' ' B' ' 18' ' ' LEU . 7.7 mt -45.02 -36.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.766 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.61 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 14.8 t -71.02 -41.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 1.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.59 -10.55 59.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -63.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.61 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 43.1 p90 -90.04 -176.14 4.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -56.53 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 1.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.642 ' O ' HG22 ' B' ' 48' ' ' THR . 0.3 OUTLIER -110.23 -14.42 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.401 1.063 . . . . 1.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -115.58 4.49 14.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -51.5 175.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.841 HG22 ' CB ' ' B' ' 46' ' ' SER . 71.7 p -131.79 137.28 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 1.0 110.378 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' B' ' 54' ' ' PHE . 21.2 t -110.89 147.56 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 1.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' B' ' 44' ' ' PRO . 3.1 mt-10 -140.52 94.54 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.563 ' CG ' ' HB3' ' B' ' 114' ' ' ALA . 5.3 m-20 -141.88 131.01 12.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.485 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.04 -68.83 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.994 -2.502 . . . . 1.0 110.962 0.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.68 ' HB ' ' HB2' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -150.48 143.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 1.0 109.349 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.8 26.09 2.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 1.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' B' ' 39' ' ' PRO . 22.8 t -106.37 50.28 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 1.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.402 ' HB3' ' NH2' ' B' ' 45' ' ' ARG . 1.0 OUTLIER 53.15 92.82 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 110.276 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.464 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -74.96 143.84 29.69 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 35' ' ' THR . 6.9 mmp_? -97.03 155.15 16.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.841 ' CB ' HG22 ' B' ' 35' ' ' THR . 51.5 p -138.84 104.26 5.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 1.0 110.053 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.51 141.35 4.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.642 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -58.91 -15.52 13.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 1.0 110.38 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.73 -66.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.91 -26.3 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.708 HG12 HG23 ' B' ' 36' ' ' VAL . 10.8 mt -72.19 -42.18 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 1.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.809 ' HG3' HD12 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -64.06 -46.24 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.83 -38.26 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.974 ' CE2' HG11 ' B' ' 36' ' ' VAL . 4.5 t80 -66.24 -49.78 66.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.508 ' CE2' HG23 ' B' ' 51' ' ' ILE . 3.9 m-85 -59.33 -59.37 5.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -51.0 -52.21 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' B' ' 60' ' ' LYS . 25.9 t-20 -54.05 -37.2 63.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 1.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.6 t -65.44 -59.76 3.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.949 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.62 HD22 ' HA2' ' B' ' 21' ' ' GLY . 1.2 mt -57.09 -18.69 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 3.6 ttpp -44.77 -26.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.724 HD23 HD23 ' B' ' 63' ' ' LEU . 11.3 tp -87.3 127.78 57.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 1.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 60.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 1.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.724 HD23 HD23 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -107.35 -176.68 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 84' ' ' VAL . . . -137.22 159.22 42.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.677 HG13 ' CD2' ' B' ' 82' ' ' PHE . 53.8 t -133.2 147.04 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -157.9 130.95 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.658 HD11 ' HD2' ' B' ' 80' ' ' PHE . 1.7 mm? -71.1 131.71 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 1.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.4 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 2.8 t -142.76 14.95 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.66 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -140.15 -172.3 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -79.49 171.82 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.937 HG22 ' CB ' ' B' ' 80' ' ' PHE . 58.3 t -127.24 109.04 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 1.007 ' NH2' HG21 ' B' ' 98' ' ' ILE . 9.9 mtm180 -69.43 59.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' B' ' 77' ' ' GLU . . . -83.14 91.05 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 1.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -160.6 152.97 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 55.0 58.81 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 1.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' B' ' 76' ' ' ASN . 0.3 OUTLIER 44.33 25.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 1.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' B' ' 73' ' ' ALA . 1.5 tt0 -122.84 159.16 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.524 ' HB1' HG21 ' B' ' 11' ' ' VAL . . . -146.85 87.72 1.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 1.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.818 ' HB3' ' HB2' ' B' ' 72' ' ' ARG . . . -105.38 85.85 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.937 ' CB ' HG22 ' B' ' 71' ' ' VAL . 42.4 p90 -105.02 157.87 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.66 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -109.04 136.58 48.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.677 ' CD2' HG13 ' B' ' 65' ' ' VAL . 45.8 p90 -142.11 165.32 27.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.4 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.1 OUTLIER -104.76 156.56 17.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 110.431 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.52 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.6 OUTLIER -134.43 125.26 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.246 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.9 m -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' B' ' 95' ' ' VAL . 0.5 OUTLIER -161.49 146.97 13.76 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 1.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.54 133.84 55.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -104.78 171.39 7.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 1.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -63.81 71.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 1.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 173.45 -32.41 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.671 ' CD ' ' HB1' ' B' ' 123' ' ' ALA . 0.8 OUTLIER 166.19 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 1.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.537 ' HG3' ' HB3' ' B' ' 125' ' ' ALA . 15.5 mttp -80.05 156.21 27.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 27.0 m -157.13 149.15 22.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.406 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -129.47 119.14 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.686 HG22 HG12 ' B' ' 121' ' ' ILE . 40.8 t -99.48 166.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.887 ' HB3' ' OD1' ' B' ' 120' ' ' ASN . . . -140.15 70.66 34.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.567 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 166.69 28.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.787 . . . . 1.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 1.007 HG21 ' NH2' ' B' ' 72' ' ' ARG . 17.2 mt -116.12 115.55 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.669 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 1.5 m-20 -85.38 119.18 25.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -119.43 109.35 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.617 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 101' ' ' PHE . 6.2 m-30 -116.05 132.22 56.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 1.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -110.98 103.92 12.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.92 ' CB ' HG22 ' B' ' 109' ' ' VAL . 2.6 p90 -144.72 160.11 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 1.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -86.74 138.45 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 1.0 109.272 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 107' ' ' GLY . . . -38.3 -49.28 2.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 1.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -39.28 -29.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 1.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' B' ' 105' ' ' GLY . . . 109.98 48.86 0.75 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 1.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' B' ' 103' ' ' PHE . 15.3 mttp -124.09 110.11 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 1.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.92 HG22 ' CB ' ' B' ' 103' ' ' PHE . 2.6 t -112.81 117.04 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.546 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 95.7 t -122.12 -5.07 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . 0.406 ' C ' ' CG ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -134.14 137.67 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 1.0 109.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.599 ' HE2' ' CD1' ' B' ' 30' ' ' PHE . 1.6 mtt -151.16 136.03 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -146.67 170.36 17.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.563 ' HB3' ' CG ' ' B' ' 38' ' ' ASP . . . -148.32 97.11 2.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.719 HD23 HG12 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -72.98 97.03 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 1.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' B' ' 117' ' ' GLY . 0.9 OUTLIER -116.63 114.37 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.535 ' HA2' HG21 ' A' ' 74' ' ' VAL . . . -99.32 173.26 26.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' B' ' 118' ' ' GLU . 7.0 tt0 -97.63 23.13 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 1.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.412 ' C ' ' NH1' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -123.33 15.78 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.887 ' OD1' ' HB3' ' B' ' 96' ' ' ALA . 3.3 t-20 -130.5 43.08 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.686 HG12 HG22 ' B' ' 95' ' ' VAL . 4.5 mt -129.49 140.66 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.42 ' HB2' HG12 ' B' ' 94' ' ' VAL . 5.5 m-70 -135.34 111.68 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.671 ' HB1' ' CD ' ' B' ' 91' ' ' ARG . . . -83.72 168.03 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.1 173.31 38.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.537 ' HB3' ' HG3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 1.0 109.318 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.533 0.206 . . . . 1.0 111.073 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -86.35 178.13 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.3 p -100.17 155.57 36.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 110.308 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 18.4 Cg_endo -75.01 -36.26 2.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 1.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.65 -44.42 96.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.955 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.1 t60 -68.83 -47.75 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 1.0 109.591 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.574 ' CB ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.33 -53.8 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -57.5 -47.32 82.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.435 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 6' ' ' HIS . 93.5 t -64.39 -42.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.768 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.0 t -57.94 -54.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.263 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -52.47 -44.89 65.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 1.0 110.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.12 98.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.68 -44.6 93.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' VAL . 95.5 t -61.05 -62.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.49 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 1.0 109.249 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.676 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -59.82 -32.31 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 1.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.93 -55.63 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -19.32 63.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.5 -15.48 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.89 39.31 97.35 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.56 1.163 . . . . 1.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.635 ' O ' HD12 ' A' ' 26' ' ' ILE . 10.1 m-20 -95.22 90.57 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 1.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 27' ' ' VAL . 15.2 mt -68.97 -43.58 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.29 -52.87 63.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 1.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.67 -61.54 6.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.71 HG22 ' HE2' ' A' ' 30' ' ' PHE . 36.3 mt -44.77 -36.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 23' ' ' LEU . 4.8 t -68.92 -43.14 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -69.65 -14.41 62.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 1.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.64 -67.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 1.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' HE2' HG22 ' A' ' 26' ' ' ILE . 24.1 p90 -87.38 -175.6 5.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 1.183 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -52.17 -176.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 1.016 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -106.42 -19.62 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.3 p30 -121.35 22.34 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -60.74 168.08 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.542 HG22 ' CB ' ' A' ' 46' ' ' SER . 69.6 p -119.35 110.23 16.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 1.0 110.446 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.656 HG23 ' CD1' ' A' ' 51' ' ' ILE . 48.9 t -89.68 139.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -137.92 66.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 1.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.919 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -136.79 131.92 18.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 1.0 109.343 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.618 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -74.98 -83.21 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.019 -2.492 . . . . 1.0 111.028 -0.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.1 OUTLIER -153.36 -173.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 1.0 109.377 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.47 29.92 1.99 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.2 p 47.68 54.31 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 1.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -144.15 62.91 10.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 1.0 110.236 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.98 161.72 38.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 1.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.591 ' HB2' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -142.54 134.1 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.542 ' CB ' HG22 ' A' ' 35' ' ' THR . 10.2 p -117.42 142.42 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.037 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.52 141.29 10.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 1.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.016 HG23 ' O ' ' A' ' 32' ' ' ASP . 4.1 p -58.25 -16.31 13.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 1.0 110.409 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.87 -67.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 1.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 45' ' ' ARG . . . -61.63 -25.65 67.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.656 ' CD1' HG23 ' A' ' 36' ' ' VAL . 3.7 mt -69.57 -68.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.511 ' HG3' HD22 ' A' ' 23' ' ' LEU . 24.3 ttp85 -55.67 -32.63 63.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.68 -61.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 38' ' ' ASP . 5.2 t80 -56.07 -53.6 55.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.521 ' HE2' HG21 ' A' ' 36' ' ' VAL . 3.3 m-85 -48.7 -40.8 29.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 1.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.69 31.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -46.59 -40.49 12.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 1.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -52.18 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.452 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -54.67 -19.68 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -41.02 -29.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 109.355 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.538 ' O ' HD12 ' A' ' 63' ' ' LEU . 10.0 tp -92.09 112.43 54.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 1.0 109.368 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 53.65 3.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 1.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.813 HD22 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -90.06 -177.12 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.353 1.033 . . . . 1.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.813 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -119.82 146.75 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.672 HG22 ' HB ' ' A' ' 84' ' ' VAL . 42.5 t -131.8 139.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -153.92 158.7 41.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.28 158.22 21.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 1.0 109.243 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 15.2 t -174.95 34.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.552 1.158 . . . . 1.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.578 ' NE2' ' HB3' ' A' ' 81' ' ' ALA . 1.3 tm0? -149.7 -75.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.537 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.5 OUTLIER 162.41 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 1.0 110.305 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.899 HG22 ' CB ' ' A' ' 80' ' ' PHE . 87.4 t -134.67 135.25 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.552 ' CZ ' ' ND2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -113.22 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.574 ' HB1' ' CB ' ' A' ' 7' ' ' MET . . . -89.58 109.16 20.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.697 ' CG1' HG21 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -163.25 161.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 1.0 109.365 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB2' ' HB ' ' B' ' 40' ' ' VAL . . . 57.49 50.56 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.2 OUTLIER 42.63 28.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 75' ' ' ALA . 6.9 pt-20 -145.11 142.35 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.639 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -104.63 122.26 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.731 ' HB3' HD22 ' B' ' 115' ' ' LEU . . . -127.92 103.23 7.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.899 ' CB ' HG22 ' A' ' 71' ' ' VAL . 29.8 p90 -122.36 173.44 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.826 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -133.65 137.84 45.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 6.4 p90 -144.17 -179.07 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 1.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.96 167.77 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 1.0 110.413 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.672 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -146.55 123.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.73 125.15 45.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 1.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.935 ' CE1' HG23 ' A' ' 95' ' ' VAL . 2.8 p90 -146.93 123.6 11.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -81.53 119.15 23.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -96.58 -173.91 2.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 1.0 110.989 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.46 92.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 1.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 51.01 53.57 26.38 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.525 1.14 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 90' ' ' GLY . 4.3 mtp85 -168.09 169.1 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.552 0.795 . . . . 1.0 110.27 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 125' ' ' ALA . 0.8 OUTLIER -129.32 116.86 19.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 1.0 109.32 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.55 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 38.8 m -118.5 142.44 47.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 110.362 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 84' ' ' VAL . 1.0 OUTLIER -126.4 117.84 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.031 HG22 HG23 ' A' ' 121' ' ' ILE . 90.7 t -100.42 163.63 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 1.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.471 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -133.26 76.84 67.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.07 156.88 42.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.435 1.755 . . . . 1.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.902 HG21 ' NH2' ' B' ' 72' ' ' ARG . 6.5 mt -119.66 120.97 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.657 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -95.09 139.97 30.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 1.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.544 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -156.25 106.54 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 1.1 p90 -134.48 154.07 51.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.443 ' HG2' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -118.01 139.89 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.719 ' HB3' HG22 ' A' ' 109' ' ' VAL . 3.6 p90 -149.35 164.07 35.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 1.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.581 ' O ' ' C ' ' A' ' 105' ' ' GLY . 2.8 t-20 -124.08 89.37 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.0 109.22 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 20.39 -109.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 1.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 107' ' ' GLY . . . -44.83 -62.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 0.75 . . . . 1.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -36.31 -41.69 0.53 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.507 1.13 . . . . 1.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER 87.47 -174.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.719 HG22 ' HB3' ' A' ' 103' ' ' PHE . 2.0 t -86.52 123.02 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.482 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 57.4 t -118.52 -0.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.98 127.37 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.699 ' HE2' ' CG ' ' A' ' 30' ' ' PHE . 1.6 mtt -143.2 138.66 29.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 2.1 ptm180 -144.39 140.63 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.919 ' HB3' ' HB3' ' A' ' 38' ' ' ASP . . . -139.92 136.22 33.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.694 HD22 HH11 ' B' ' 72' ' ' ARG . 6.2 mp -120.59 133.88 55.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.684 ' O ' HG21 ' B' ' 74' ' ' VAL . 0.5 OUTLIER -147.77 177.97 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.563 ' HA2' HD11 ' A' ' 121' ' ' ILE . . . 68.63 -177.61 26.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.635 ' HB2' HG23 ' B' ' 74' ' ' VAL . 0.3 OUTLIER 65.55 64.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 1.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER 89.48 -17.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 1.0 109.266 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.414 ' HB2' ' N ' ' A' ' 117' ' ' GLY . 2.7 m-80 -73.85 -11.99 60.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 1.031 HG23 HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -94.82 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -134.44 89.98 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 1.0 109.564 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.426 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -64.64 159.44 21.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . 179.71 179.22 48.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 1.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.498 0.763 . . . . 1.0 109.211 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.54 0.21 . . . . 1.0 111.075 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' B' ' 76' ' ' ASN . 22.7 m-20 -139.19 60.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.4 p -96.25 155.36 38.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 1.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.89 3.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -66.03 -41.74 90.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 110.185 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.458 ' O ' HG23 ' B' ' 10' ' ' VAL . 3.6 t-160 -71.59 -44.38 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 109.575 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.586 ' HE3' ' HB1' ' B' ' 73' ' ' ALA . 34.3 mtm -59.37 -58.97 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -58.37 -49.82 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -52.73 -45.02 66.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.635 HG13 HD21 ' B' ' 29' ' ' LEU . 3.1 t -57.86 -47.14 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 1.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.735 HG22 ' CD2' ' B' ' 101' ' ' PHE . 18.9 t -55.63 -38.9 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -62.92 -60.34 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ttp-105 -52.52 -34.16 48.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -67.86 -56.37 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.71 -46.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 1.0 109.279 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.97 -60.32 3.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.493 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -50.29 -28.38 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 1.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.76 ' HA ' HD11 ' B' ' 26' ' ' ILE . 14.4 tp -71.58 -57.94 3.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 1.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.86 -17.22 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 1.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.72 -29.38 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.509 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 76.55 55.3 4.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 1.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.448 ' N ' ' OD2' ' B' ' 22' ' ' ASP . 0.9 OUTLIER -112.65 66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 0.763 . . . . 1.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.505 ' O ' HG23 ' B' ' 27' ' ' VAL . 10.6 mt -43.85 -38.17 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -60.24 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.189 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.12 -59.63 10.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.76 HD11 ' HA ' ' B' ' 18' ' ' LEU . 48.9 mt -42.14 -37.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.452 0.736 . . . . 1.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.579 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 3.0 t -68.62 -49.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -62.03 -14.59 37.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 1.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.635 HD21 HG13 ' B' ' 10' ' ' VAL . 0.6 OUTLIER -59.78 -54.01 51.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 1.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' B' ' 51' ' ' ILE . 24.7 p90 -102.11 -178.82 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -51.95 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.982 ' O ' HG23 ' B' ' 48' ' ' THR . 3.4 t70 -103.03 -17.68 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 1.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.92 21.31 11.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.65 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -63.93 -178.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 1.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.637 HG22 ' HB2' ' B' ' 46' ' ' SER . 28.5 p -134.38 117.49 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 1.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.62 HG23 HG12 ' B' ' 51' ' ' ILE . 98.4 t -93.11 145.28 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 1.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 4.1 mp0 -128.07 65.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.596 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 0.2 OUTLIER -110.17 138.86 20.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 1.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.811 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.5 Cg_endo -74.99 -38.81 1.64 Allowed 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.996 -2.501 . . . . 1.0 111.019 -0.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.775 HG12 ' H ' ' B' ' 41' ' ' GLY . 2.2 t -128.36 -174.77 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.775 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -54.39 -18.11 9.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.447 1.092 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 7.2 t -82.19 50.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.4 mt-10 160.51 70.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.444 ' O ' ' NE ' ' B' ' 45' ' ' ARG . 18.6 Cg_endo -75.05 154.64 42.41 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.472 1.774 . . . . 1.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.894 ' HG3' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -151.86 96.57 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.637 ' HB2' HG22 ' B' ' 35' ' ' THR . 16.9 p -96.6 139.4 32.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 1.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.7 146.58 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 1.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.982 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.9 p -60.13 -14.61 17.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 1.0 110.401 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.71 -66.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.894 ' HB1' ' HG3' ' B' ' 45' ' ' ARG . . . -62.66 -32.25 73.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.669 HG21 ' CE1' ' B' ' 30' ' ' PHE . 25.1 mt -63.94 -66.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -56.85 -30.55 63.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 1.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.0 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 1.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 1.8 t80 -60.39 -54.68 42.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 1.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.463 ' OH ' ' CE ' ' B' ' 112' ' ' MET . 0.2 OUTLIER -46.83 -39.66 12.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 1.0 110.982 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.55 -50.57 57.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.29 -19.02 53.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -81.43 -69.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 1.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.753 HD11 HD12 ' B' ' 18' ' ' LEU . 0.6 OUTLIER -56.03 -18.88 10.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 1.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.446 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.8 tp -91.44 135.74 27.66 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 1.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.446 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.06 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 1.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -116.6 178.32 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 1.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.83 104.4 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.8 HG13 ' CD2' ' B' ' 82' ' ' PHE . 4.1 t -84.29 142.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 1.0 109.197 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -159.98 138.08 10.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 1.0 110.339 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.547 HD23 ' O ' ' B' ' 81' ' ' ALA . 1.1 mt -75.11 141.11 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.464 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 2.2 t -155.99 23.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.484 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 6.5 mt-30 -134.39 -78.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.47 170.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.893 HG22 ' CB ' ' B' ' 80' ' ' PHE . 89.3 t -119.1 136.53 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.902 ' NH2' HG21 ' A' ' 98' ' ' ILE . 6.8 ttm180 -111.2 92.52 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.889 ' O ' HG23 ' B' ' 74' ' ' VAL . . . -93.74 127.82 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 109.374 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 73' ' ' ALA . 2.1 t -170.54 146.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.303 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.549 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 49.05 67.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 1.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 76' ' ' ASN . 3.2 p-10 38.78 30.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.567 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 2.4 tt0 -125.6 160.23 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -148.52 100.64 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.885 ' HB2' ' CE1' ' B' ' 100' ' ' HIS . . . -113.8 101.74 9.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.893 ' CB ' HG22 ' B' ' 71' ' ' VAL . 49.7 p90 -112.9 162.27 16.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 1.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.547 ' O ' HD23 ' B' ' 67' ' ' LEU . . . -117.24 130.95 56.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.8 ' CD2' HG13 ' B' ' 65' ' ' VAL . 46.8 p90 -138.53 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 1.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.464 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -106.18 164.52 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 1.0 110.44 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.499 HG13 ' CD ' ' B' ' 97' ' ' PRO . 0.7 OUTLIER -140.09 116.83 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 109.236 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 4.9 m -91.04 124.91 35.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 110.077 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.1 OUTLIER -167.69 146.01 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 111.021 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -112.09 132.25 54.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.514 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -102.61 171.14 7.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 1.0 110.966 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -63.73 70.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 173.52 -32.85 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.425 1.078 . . . . 1.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 166.82 -179.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 0.818 . . . . 1.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.402 ' C ' ' OG1' ' B' ' 93' ' ' THR . 0.0 OUTLIER -76.38 156.76 32.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 1.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.627 HG22 HG23 ' B' ' 121' ' ' ILE . 14.2 m -157.26 151.41 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 1.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' B' ' 122' ' ' HIS . 0.5 OUTLIER -136.22 122.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 1.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.738 HG22 HG13 ' B' ' 121' ' ' ILE . 31.5 t -102.95 165.82 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 1.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.497 ' HB3' ' OD1' ' B' ' 120' ' ' ASN . . . -137.19 68.47 55.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.535 ' HB3' ' CG ' ' B' ' 116' ' ' PHE . 18.4 Cg_endo -74.97 169.66 22.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 1.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.461 HG23 ' O ' ' B' ' 80' ' ' PHE . 37.8 mt -121.42 122.9 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -96.24 143.01 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.885 ' CE1' ' HB2' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -132.77 128.3 36.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.604 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.735 ' CD2' HG22 ' B' ' 11' ' ' VAL . 20.6 m-85 -117.38 144.79 44.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 1.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.793 ' HD3' HH21 ' B' ' 113' ' ' ARG . 5.8 mtp180 -127.9 116.08 19.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' B' ' 104' ' ' ASN . 23.0 m-85 -100.83 158.89 15.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 1.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' B' ' 103' ' ' PHE . 2.3 m-20 157.24 -179.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' B' ' 106' ' ' ALA . . . 42.09 94.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 1.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' B' ' 105' ' ' GLY . . . 67.89 38.88 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 1.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' B' ' 106' ' ' ALA . . . 37.62 46.76 1.61 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 1.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.37 154.72 46.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 0.742 . . . . 1.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.447 HG22 ' CD2' ' B' ' 103' ' ' PHE . 39.3 t -81.35 116.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 1.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' B' ' 31' ' ' ALA . 64.5 t -117.49 -7.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 1.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.1 134.88 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.478 ' HG2' HG13 ' B' ' 36' ' ' VAL . 5.3 ttp -146.77 142.4 27.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 1.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.793 HH21 ' HD3' ' B' ' 102' ' ' ARG . 2.8 mtt180 -155.1 162.92 40.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.811 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -136.09 179.88 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -152.92 99.28 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.364 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.535 ' CG ' ' HB3' ' B' ' 97' ' ' PRO . 6.3 m-85 -106.68 130.03 54.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.585 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -110.27 177.19 19.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 1.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -105.81 -14.56 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 1.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -99.47 17.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.767 ' C ' HD12 ' B' ' 121' ' ' ILE . 2.2 t-20 -123.35 39.14 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.767 HD12 ' C ' ' B' ' 120' ' ' ASN . 3.7 mp -130.29 153.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.495 ' HB2' HG12 ' B' ' 94' ' ' VAL . 5.0 m-70 -142.46 111.82 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.619 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.53 164.7 17.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 1.0 109.389 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.39 42.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 1.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 1.0 109.318 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.478 0.18 . . . . 1.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -169.61 106.69 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 1.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -124.12 155.52 67.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 1.0 110.336 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -32.0 5.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 1.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.24 -53.55 42.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.199 . . . . 1.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -65.27 -41.41 94.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.734 ' O ' HG23 ' A' ' 11' ' ' VAL . 8.3 mtm -57.95 -57.98 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -54.92 -42.11 71.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.89 95.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -65.9 -30.14 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.815 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 98.9 t -67.4 -44.63 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -46.51 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.78 90.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.0 110.252 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.612 ' HA ' HD13 ' A' ' 29' ' ' LEU . 29.5 t80 -60.7 -54.07 49.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 1.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.16 -56.38 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.61 -47.25 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -60.83 -41.69 96.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 1.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' HA ' HD11 ' A' ' 26' ' ' ILE . 58.5 tp -58.07 -53.88 53.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -60.99 -27.85 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -15.23 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 1.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 69.52 27.88 72.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 1.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.551 ' O ' HD12 ' A' ' 26' ' ' ILE . 13.6 t0 -84.21 85.55 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -62.96 -37.02 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -61.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -43.18 26.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.599 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 52.2 mt -65.93 -44.63 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.606 0.827 . . . . 1.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 23' ' ' LEU . 15.6 t -63.78 -20.35 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.44 -24.9 18.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 1.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -53.69 -42.07 67.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 1.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 3.7 p90 -114.57 178.23 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 1.0 111.062 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -45.48 169.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 1.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 1.026 ' O ' HG23 ' A' ' 48' ' ' THR . 1.4 m-20 -96.16 -17.11 21.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -120.17 32.22 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -80.51 175.67 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.768 HG22 ' CB ' ' A' ' 46' ' ' SER . 9.6 p -130.92 136.5 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 1.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.814 HG21 HG23 ' A' ' 51' ' ' ILE . 13.6 t -113.2 141.98 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -127.3 94.49 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -141.26 121.72 8.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 1.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -75.04 -80.01 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.948 -2.522 . . . . 1.0 110.998 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.95 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 0.2 OUTLIER -152.49 151.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . -168.61 -73.5 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.7 p 156.64 51.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 0.75 . . . . 1.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 42' ' ' SER . 0.1 OUTLIER 164.62 88.16 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 1.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.0 148.76 35.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 1.0 111.053 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.922 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -74.03 113.44 11.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 1.0 110.343 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.768 ' CB ' HG22 ' A' ' 35' ' ' THR . 78.3 p -99.4 141.92 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 1.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 123.85 5.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.437 1.085 . . . . 1.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.026 HG23 ' O ' ' A' ' 32' ' ' ASP . 7.7 p -41.37 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 1.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -55.62 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.922 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -63.85 -49.03 74.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.814 HG23 HG21 ' A' ' 36' ' ' VAL . 8.8 mt -51.22 -52.4 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 1.9 tmm_? -63.66 -34.98 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 1.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -50.17 69.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 1.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE1' ' HD2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -69.59 -61.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 111.029 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.748 ' HE1' HG11 ' A' ' 36' ' ' VAL . 11.2 m-85 -49.66 -22.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.684 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -80.85 -67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -50.65 -22.95 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 1.0 109.252 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m -80.0 -56.61 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 55' ' ' TYR . 1.5 mt -55.99 -19.78 13.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -52.21 -22.01 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.6 139.86 21.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.52 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 1.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.942 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -94.38 132.59 38.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 1.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.771 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -109.06 103.85 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.68 HG23 HD11 ' A' ' 63' ' ' LEU . 2.2 t -94.0 147.13 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.74 137.63 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 1.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 81' ' ' ALA . 1.6 mt -67.57 156.33 37.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 1.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.501 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.2 t 179.68 51.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.418 HE21 ' CB ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -156.19 -85.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 1.0 110.327 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.446 ' CD ' ' NH1' ' A' ' 72' ' ' ARG . 3.2 pt-20 -171.1 168.03 6.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.491 1.12 . . . . 1.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.915 HG22 ' CB ' ' A' ' 80' ' ' PHE . 98.1 t -131.31 122.13 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.661 ' HD3' HD12 ' B' ' 98' ' ' ILE . 8.6 mpt_? -99.06 103.0 14.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 1.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.96 120.57 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 HG21 ' B' ' 40' ' ' VAL . 0.3 OUTLIER -178.71 156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' C ' ' N ' ' A' ' 77' ' ' GLU . . . 54.84 55.95 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER 39.05 30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.353 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' ALA . 4.9 mt-10 -138.7 123.91 19.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 1.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.699 ' HB2' ' SD ' ' A' ' 7' ' ' MET . . . -106.81 130.42 54.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.865 ' O ' HG13 ' A' ' 71' ' ' VAL . . . -124.25 165.97 16.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 1.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.915 ' CB ' HG22 ' A' ' 71' ' ' VAL . 11.6 p90 -174.52 150.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.752 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -107.16 119.52 39.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.186 . . . . 1.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.588 ' CD2' HG13 ' A' ' 65' ' ' VAL . 49.2 p90 -122.73 165.85 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -105.99 159.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.57 ' HB ' HD21 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -134.67 115.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.61 112.27 24.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 1.0 110.035 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.446 ' HE1' HG23 ' A' ' 95' ' ' VAL . 1.6 p90 -152.95 149.45 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -117.49 134.9 54.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 1.0 110.238 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -111.97 172.37 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 1.0 111.034 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -63.71 73.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 171.56 -31.65 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 1.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER 162.37 179.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 1.0 110.295 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.401 ' C ' ' OG1' ' A' ' 93' ' ' THR . 0.7 OUTLIER -82.2 157.82 23.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.493 HG23 ' HA ' ' A' ' 123' ' ' ALA . 10.1 m -156.94 144.84 19.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -127.81 114.86 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 121' ' ' ILE . 16.3 t -97.22 167.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.462 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -139.84 66.52 33.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.824 ' HA ' HH21 ' B' ' 72' ' ' ARG . 18.2 Cg_endo -75.07 163.82 34.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.547 1.814 . . . . 1.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.71 HG22 ' CE1' ' A' ' 100' ' ' HIS . 15.9 mt -112.04 148.67 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 4.8 m-20 -128.02 141.45 51.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.743 ' CE1' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -150.94 133.09 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.815 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -140.1 156.88 46.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 59.2 ttt180 -108.58 159.66 16.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 1.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 109' ' ' VAL . 13.2 m-85 -125.75 152.04 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 105' ' ' GLY . 3.3 t-20 -118.69 179.0 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.675 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . -35.98 129.26 0.88 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 1.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 105' ' ' GLY . . . 83.17 16.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 1.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 51.62 57.58 11.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 1.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -115.21 122.34 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 1.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.702 ' CG2' ' CE2' ' A' ' 103' ' ' PHE . 23.7 t -75.55 120.94 26.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.561 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 74.1 t -118.82 -4.18 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 1.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.01 139.63 21.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 1.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.76 ' HG3' HG13 ' A' ' 36' ' ' VAL . 24.0 ptp -154.16 151.09 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -142.82 172.44 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . . . -147.07 107.32 4.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.796 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.6 OUTLIER -81.37 91.15 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.536 ' CE1' HG11 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -109.14 88.86 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 1.0 110.942 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.29 -170.87 37.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 121' ' ' ILE . 1.7 mp0 -116.9 44.48 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 1.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.45 ' HZ2' ' HB3' ' B' ' 73' ' ' ALA . 4.6 ptmt -141.57 15.07 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.492 ' HB2' ' CZ ' ' B' ' 72' ' ' ARG . 0.9 OUTLIER -131.61 40.91 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 1.0 109.316 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.637 HG23 HG22 ' A' ' 95' ' ' VAL . 2.2 mt -119.66 140.2 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 1.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -134.65 98.89 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 1.0 109.607 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -61.49 175.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 1.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.55 173.69 37.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 1.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 109.315 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.19 . . . . 1.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 175.42 124.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 1.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.795 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.7 OUTLIER -139.29 150.38 64.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 1.0 110.395 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.55 ' HB3' ' HB3' ' B' ' 73' ' ' ALA . 18.1 Cg_endo -75.07 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -46.55 86.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 1.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.795 ' HB2' HG23 ' B' ' 3' ' ' THR . 11.8 m170 -70.19 -48.65 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 1.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.526 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -50.9 -49.26 59.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -63.01 -51.34 67.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.82 -40.03 59.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 1.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' B' ' 29' ' ' LEU . 3.2 t -66.35 -40.17 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.845 ' O ' HG23 ' B' ' 15' ' ' VAL . 3.4 t -59.49 -46.69 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -55.67 31.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -55.94 -39.91 72.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 1.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' B' ' 29' ' ' LEU . 39.2 t80 -64.03 -45.44 88.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 1.132 HG21 ' CE2' ' B' ' 82' ' ' PHE . 60.7 t -63.23 -66.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 1.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.41 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.268 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.74 78.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.599 ' HA ' HD11 ' B' ' 26' ' ' ILE . 45.3 tp -53.31 -54.15 40.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -60.58 -30.76 70.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 1.0 109.219 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.79 -16.68 61.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 1.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 74.43 29.27 62.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.61 1.194 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.614 ' O ' HD12 ' B' ' 26' ' ' ILE . 15.5 t0 -88.24 82.24 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.772 ' O ' HG23 ' B' ' 27' ' ' VAL . 1.1 mt -61.78 -51.39 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 1.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -59.31 -62.04 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.72 -42.55 21.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 1.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.614 HD12 ' O ' ' B' ' 22' ' ' ASP . 38.2 mt -63.65 -41.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 0.702 . . . . 1.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.772 HG23 ' O ' ' B' ' 23' ' ' LEU . 79.6 t -65.09 -26.11 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.76 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -55.89 -44.2 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.241 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.4 p90 -113.28 -175.21 2.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 1.0 110.968 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.647 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -44.15 166.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.697 ' O ' HG23 ' B' ' 48' ' ' THR . 44.0 m-20 -89.33 -19.39 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 1.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -121.91 15.32 10.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.796 ' HA ' HG13 ' B' ' 110' ' ' VAL . . . -42.43 163.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.2 p -125.97 109.7 12.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 1.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.702 HG23 HG12 ' B' ' 51' ' ' ILE . 18.5 t -88.0 157.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 3.0 mt-10 -154.26 76.3 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -138.63 152.64 71.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.617 1.198 . . . . 1.0 109.299 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.63 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.047 -2.481 . . . . 1.0 110.983 0.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.817 HG21 HG11 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -164.2 -176.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 1.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.91 28.65 30.95 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.497 1.123 . . . . 1.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 99.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 0.721 . . . . 1.0 109.984 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.417 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 0.6 OUTLIER -161.18 63.57 1.76 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 153.65 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.779 . . . . 1.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' B' ' 54' ' ' PHE . 3.0 ptt180 -154.25 98.93 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -95.57 134.01 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 1.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.97 142.36 11.33 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.521 1.138 . . . . 1.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.697 HG23 ' O ' ' B' ' 32' ' ' ASP . 40.1 p -56.47 -17.28 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' B' ' 53' ' ' GLU . . . -69.7 -57.69 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' B' ' 45' ' ' ARG . . . -66.43 -38.11 86.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 1.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.702 HG12 HG23 ' B' ' 36' ' ' VAL . 59.1 mt -63.18 -65.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -38.17 64.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 1.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' B' ' 49' ' ' ALA . 3.8 mm-40 -55.29 -56.12 23.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 1.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.634 ' CG ' ' CZ ' ' B' ' 45' ' ' ARG . 7.6 t80 -67.25 -60.05 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.504 ' O ' HD12 ' B' ' 59' ' ' LEU . 9.7 m-85 -44.16 -30.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.38 -52.41 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -53.15 -29.7 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 -55.22 5.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.504 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.4 OUTLIER -55.15 -19.4 7.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 1.0 109.359 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.74 -28.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 1.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.974 HD11 ' O ' ' B' ' 87' ' ' GLU . 12.2 tp -105.4 138.83 19.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.457 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.99 54.73 3.73 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.6 1.842 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -79.1 -176.53 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' B' ' 84' ' ' VAL . . . -143.03 156.38 44.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.458 1.099 . . . . 1.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -141.6 140.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -161.35 137.86 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.772 ' CD1' ' CZ ' ' B' ' 82' ' ' PHE . 0.8 OUTLIER -71.2 167.62 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 1.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.595 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.4 OUTLIER -165.45 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 1.0 110.365 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' B' ' 81' ' ' ALA . 3.9 mp0 -77.24 -84.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.453 ' CD ' ' ND2' ' A' ' 120' ' ' ASN . 0.1 OUTLIER 176.48 -177.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 110.296 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' B' ' 80' ' ' PHE . 21.8 t -129.03 123.93 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.824 HH21 ' HA ' ' A' ' 97' ' ' PRO . 3.7 mmt180 -102.24 95.47 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.341 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' B' ' 4' ' ' PRO . . . -95.38 121.1 36.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.528 ' O ' ' CG ' ' B' ' 77' ' ' GLU . 0.4 OUTLIER -177.33 167.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.95 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 51.51 45.77 27.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.32 37.96 12.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.796 ' OE2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -147.52 169.53 19.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.499 ' O ' ' CE1' ' B' ' 80' ' ' PHE . . . -141.79 105.7 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.45 103.95 13.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' B' ' 71' ' ' VAL . 0.1 OUTLIER -116.54 163.56 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . . . -118.54 108.95 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 1.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 1.132 ' CE2' HG21 ' B' ' 15' ' ' VAL . 18.3 m-85 -107.88 168.68 9.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.595 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.0 OUTLIER -120.67 121.76 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 1.0 110.361 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.694 ' CG2' ' CE1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -99.35 167.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' B' ' 93' ' ' THR . 2.4 t -152.03 110.94 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.694 ' CE1' ' CG2' ' B' ' 84' ' ' VAL . 7.3 m-30 -101.35 172.86 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.107 . . . . 1.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.974 ' O ' HD11 ' B' ' 61' ' ' LEU . 22.2 tt0 -153.76 148.51 26.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' B' ' 91' ' ' ARG . 0.1 OUTLIER 175.02 134.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.99 48.31 21.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.414 1.071 . . . . 1.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.96 11.44 31.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 1.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.5 OUTLIER -95.91 145.56 25.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' B' ' 125' ' ' ALA . 8.4 pttm -131.42 121.89 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' B' ' 123' ' ' ALA . 1.2 m -124.02 155.45 38.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 1.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 84' ' ' VAL . 0.3 OUTLIER -141.04 126.5 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 1.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.722 HG13 HG13 ' B' ' 121' ' ' ILE . 13.4 t -113.22 170.12 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.66 63.66 21.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.538 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.6 Cg_endo -74.93 167.56 26.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 1.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.661 HD12 ' HD3' ' A' ' 72' ' ' ARG . 1.9 mt -118.99 125.21 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 1.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.651 ' CB ' ' CE2' ' B' ' 80' ' ' PHE . 11.8 m-20 -95.92 125.04 40.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.604 ' CD2' ' OE1' ' B' ' 77' ' ' GLU . 1.9 t-80 -116.48 99.43 7.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.565 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.406 ' CD2' ' HZ ' ' B' ' 80' ' ' PHE . 10.6 m-30 -89.75 165.57 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 1.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.92 120.76 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.94 ' CE2' HG22 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -97.01 132.79 42.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 111.034 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' B' ' 105' ' ' GLY . 4.6 t30 -140.44 178.81 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.254 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.581 ' H ' ' ND2' ' B' ' 104' ' ' ASN . . . 64.14 -170.25 20.79 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 1.0 111.062 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.1 10.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 1.0 109.24 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.477 ' O ' ' CD ' ' B' ' 108' ' ' LYS . . . 163.99 71.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 1.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' B' ' 107' ' ' GLY . 6.9 mmmt -142.2 147.18 36.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 0.736 . . . . 1.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.94 HG22 ' CE2' ' B' ' 103' ' ' PHE . 12.9 t -90.44 120.54 39.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.796 HG13 ' HA ' ' B' ' 34' ' ' ALA . 91.4 t -120.59 -75.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 134.83 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 1.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.45 ' O ' ' N ' ' B' ' 37' ' ' GLU . 0.6 OUTLIER -160.69 132.94 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -140.34 174.97 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 1.0 110.339 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . . . -132.9 170.27 15.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.514 ' CD2' HG12 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -147.52 105.28 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.504 ' CE2' ' HG3' ' B' ' 97' ' ' PRO . 5.9 m-85 -100.67 -175.96 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.48 ' O ' HD12 ' B' ' 121' ' ' ILE . . . -168.13 174.72 43.0 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 1.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -27.28 17.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 0.701 . . . . 1.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.7 15.67 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' B' ' 95' ' ' VAL . 24.0 m120 -124.61 10.93 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.722 HG13 HG13 ' B' ' 95' ' ' VAL . 16.1 mt -117.66 139.41 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -136.83 98.75 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 1.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.479 ' CB ' ' OG1' ' B' ' 93' ' ' THR . . . -96.75 145.88 25.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.389 1.056 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.47 179.19 43.39 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 1.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.578 ' HB3' ' HG2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.571 0.806 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.48 0.181 . . . . 1.0 111.084 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.454 ' ND2' ' CD2' ' A' ' 103' ' ' PHE . 10.2 t-20 -156.09 168.95 25.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.747 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.4 OUTLIER -140.69 156.15 69.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.419 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.474 ' HA ' ' SD ' ' A' ' 7' ' ' MET . 18.1 Cg_endo -75.0 -40.61 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 1.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -63.39 -28.36 69.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.747 ' HB2' HG23 ' A' ' 3' ' ' THR . 10.6 t-160 -77.82 -66.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.629 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.779 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 1.0 OUTLIER -51.04 -41.07 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 73' ' ' ALA . 75.4 m -69.45 -45.02 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -59.04 -36.72 75.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 29' ' ' LEU . 25.5 t -69.53 -39.78 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.77 HG21 ' CE1' ' A' ' 80' ' ' PHE . 3.1 t -58.47 -42.36 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 1.0 109.275 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 1.0 110.33 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.13 -32.66 10.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' OH ' ' CE1' ' A' ' 55' ' ' TYR . 18.8 t80 -63.89 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 1.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.021 HG21 ' CZ ' ' A' ' 82' ' ' PHE . 2.7 t -45.85 -45.3 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.8 78.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.894 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -62.35 -33.61 75.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HA ' HD11 ' A' ' 26' ' ' ILE . 14.4 tp -65.14 -53.12 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.574 HD21 ' HB1' ' A' ' 64' ' ' ALA . 13.4 t-20 -58.43 -32.51 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.2 66.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 83.91 40.78 8.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.894 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 7.0 p30 -107.72 75.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 1.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 55' ' ' TYR . 6.6 mt -55.52 -19.28 9.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 1.0 109.345 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -67.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 1.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -28.72 33.01 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.718 HG22 ' HE1' ' A' ' 30' ' ' PHE . 16.2 mt -76.59 -49.36 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.736 HG13 ' CG2' ' A' ' 48' ' ' THR . 11.0 t -65.68 -15.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.72 -25.22 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 10' ' ' VAL . 1.4 mt -58.63 -62.16 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 1.0 109.256 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.718 ' HE1' HG22 ' A' ' 26' ' ' ILE . 50.3 p90 -89.31 -177.87 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.598 1.186 . . . . 1.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -55.87 -178.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -112.54 -15.64 13.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.62 17.77 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 1.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -67.5 176.11 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' CB ' ' A' ' 46' ' ' SER . 30.3 p -136.61 128.84 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.75 HG23 HG12 ' A' ' 51' ' ' ILE . 38.4 t -99.85 153.43 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 112' ' ' MET . 4.5 mm-40 -141.65 72.43 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 1.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.537 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -137.12 146.18 53.4 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 1.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.662 ' C ' HG22 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.05 -66.5 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 -2.521 . . . . 1.0 111.039 -0.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -166.3 -174.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 1.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.64 43.67 66.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.574 1.171 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.96 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 1.0 109.955 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 178.98 62.65 0.1 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 1.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.04 156.28 42.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 1.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.64 ' HD2' ' HB1' ' A' ' 50' ' ' ALA . 33.7 mmt180 -149.71 83.81 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' CB ' HG22 ' A' ' 35' ' ' THR . 83.6 p -92.79 137.51 32.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 110.083 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.29 156.99 27.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.46 1.1 . . . . 1.0 111.036 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.736 ' CG2' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -72.64 -17.06 61.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.745 . . . . 1.0 110.416 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.54 13.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 45' ' ' ARG . . . -73.26 -40.12 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 1.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.75 HG12 HG23 ' A' ' 36' ' ' VAL . 16.7 mt -61.28 -40.36 85.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 1.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' THR . 1.4 tmm_? -76.52 -64.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.79 -35.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -77.3 -66.55 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.546 ' CE2' HG23 ' A' ' 51' ' ' ILE . 1.3 m-85 -42.66 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.83 -50.54 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -52.83 -25.05 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -86.8 -50.05 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.447 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -58.74 -16.92 18.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -23.41 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.778 HD12 ' HD2' ' A' ' 62' ' ' PRO . 12.7 tp -91.49 134.15 29.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.778 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 70.99 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 1.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -116.6 166.74 11.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.574 ' HB1' HD21 ' A' ' 19' ' ' ASN . . . -134.96 116.43 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 1.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.564 HG22 HG12 ' A' ' 84' ' ' VAL . 92.9 t -101.85 137.53 29.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.001 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -65.36 161.92 18.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.61 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -174.08 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 110.399 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -65.6 -82.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' GLN . 1.5 mt-10 -178.36 175.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 1.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.722 HG22 ' HB3' ' A' ' 80' ' ' PHE . 18.9 t -137.13 99.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.518 ' CZ ' HD11 ' B' ' 98' ' ' ILE . 12.0 mmt85 -77.27 81.0 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 1.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.779 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -89.96 117.53 28.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -177.42 150.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.84 50.26 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 1.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 51.34 21.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.24 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.468 ' O ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -120.05 159.91 23.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 1.0 110.346 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -148.71 95.65 2.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 109.277 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' B' ' 115' ' ' LEU . . . -102.34 97.95 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.77 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -112.89 163.63 14.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 1.0 111.009 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . . . -127.0 114.94 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 1.021 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 30.7 m-85 -105.8 172.86 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.564 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -124.31 118.59 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.644 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.9 OUTLIER -96.78 130.68 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 1.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.517 ' HA ' HG23 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -110.96 124.68 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 1.0 109.988 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -163.41 152.26 14.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -115.78 131.76 56.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 1.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -107.26 169.89 8.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 1.0 110.988 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.82 73.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 171.31 -31.66 0.13 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 1.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.13 -179.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 1.0 110.361 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -85.42 154.76 21.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 1.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.725 HG22 HG23 ' A' ' 121' ' ' ILE . 25.7 m -157.17 144.9 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 1.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.8 OUTLIER -130.29 114.17 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.991 HG22 ' CG1' ' A' ' 121' ' ' ILE . 93.8 t -93.66 166.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -137.97 75.53 41.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.546 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 156.52 42.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.634 HG22 ' NE2' ' A' ' 100' ' ' HIS . 3.4 mt -115.88 121.35 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.637 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . 4.6 m-20 -100.47 126.62 46.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.634 ' NE2' HG22 ' A' ' 98' ' ' ILE . 44.0 m170 -111.21 94.64 5.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 1.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 112' ' ' MET . 3.3 m-30 -81.57 158.08 24.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -138.26 93.14 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 1.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -67.06 147.92 52.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 1.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.467 ' O ' ' C ' ' A' ' 105' ' ' GLY . 5.3 m-20 -120.8 93.34 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 32.67 -133.16 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.554 1.159 . . . . 1.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.57 -15.57 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 1.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -60.71 -29.73 70.75 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.479 1.112 . . . . 1.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.3 OUTLIER 87.9 -175.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 0.735 . . . . 1.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.532 HG22 ' CD1' ' A' ' 103' ' ' PHE . 21.3 t -59.54 115.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 63.5 t -121.34 -4.57 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 1.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 132.23 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 1.0 109.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.542 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.4 mtm -143.03 132.01 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 1.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -126.88 167.51 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -139.83 164.75 29.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.522 HD23 HG12 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -152.1 102.0 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -115.8 131.03 57.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.727 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -119.39 -173.19 15.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 1.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.609 ' HA ' HD13 ' A' ' 121' ' ' ILE . 12.1 tp10 -101.67 -7.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 1.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.9 16.7 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 117' ' ' GLY . 0.0 OUTLIER -132.41 42.58 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.372 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.991 ' CG1' HG22 ' A' ' 95' ' ' VAL . 4.9 mp -134.6 142.43 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.43 ' HB2' HG12 ' A' ' 94' ' ' VAL . 1.2 m-70 -132.64 107.7 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 1.0 109.651 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.14 157.53 21.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 1.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.64 173.47 46.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 1.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 109.305 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ttm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.472 0.177 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.92 137.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -95.39 155.46 38.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 1.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -63.0 -45.53 91.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.34 -44.8 74.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.648 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.708 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 16.8 mtm -55.77 -54.71 41.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.427 HG23 HG11 ' B' ' 71' ' ' VAL . 4.2 m -58.37 -45.75 87.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 1.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.4 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.81 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.72 HG13 ' CZ ' ' B' ' 80' ' ' PHE . 5.0 t -62.13 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.85 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.25 -39.83 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 1.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.452 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 10.3 t80 -59.88 -48.69 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 1.0 111.057 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 11' ' ' VAL . 71.3 t -58.32 -60.74 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.28 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.575 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -64.62 -41.15 96.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' B' ' 15' ' ' VAL . 7.9 tp -62.77 -55.34 27.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.66 -24.0 66.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 1.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.62 -16.03 56.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.465 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . 66.08 38.69 94.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.555 1.159 . . . . 1.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.78 ' O ' HD12 ' B' ' 26' ' ' ILE . 65.2 m-20 -97.97 82.64 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 1.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.802 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.5 OUTLIER -54.17 -55.97 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -59.5 -26.81 65.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 1.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -71.04 -70.3 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.78 HD12 ' O ' ' B' ' 22' ' ' ASP . 2.6 mp -47.84 -32.1 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 1.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.802 HG23 ' O ' ' B' ' 23' ' ' LEU . 88.7 t -75.02 -36.6 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -66.77 -69.16 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 1.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 31.9 p90 -83.06 -175.88 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 1.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -49.26 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.827 ' O ' HG23 ' B' ' 48' ' ' THR . 1.2 p30 -103.16 -10.18 19.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -124.64 14.87 8.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 1.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.903 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -60.51 169.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 1.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.585 HG22 ' CB ' ' B' ' 46' ' ' SER . 77.5 p -121.63 133.75 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 1.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.759 HG23 HG12 ' B' ' 51' ' ' ILE . 27.0 t -106.73 150.54 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' B' ' 113' ' ' ARG . 2.0 tm-20 -150.36 74.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 1.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -142.47 147.13 41.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.601 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -59.23 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.995 -2.502 . . . . 1.0 111.002 -0.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.601 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -162.04 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.91 19.45 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p 60.49 -178.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 109.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 70.69 64.94 0.44 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.455 ' HB3' ' CG ' ' B' ' 37' ' ' GLU . 18.1 Cg_endo -75.05 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 1.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' B' ' 35' ' ' THR . 11.3 mtp180 -140.15 161.34 37.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 1.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.585 ' CB ' HG22 ' B' ' 35' ' ' THR . 13.5 p -143.46 143.09 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 1.0 110.05 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 148.34 23.74 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.827 HG23 ' O ' ' B' ' 32' ' ' ASP . 31.0 p -63.9 -14.08 50.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.754 . . . . 1.0 110.434 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.71 -65.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.75 78.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.903 HD11 ' O ' ' B' ' 34' ' ' ALA . 92.3 mt -56.82 -53.17 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 1.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.739 ' HG3' HD12 ' B' ' 23' ' ' LEU . 39.9 ttp85 -58.52 -46.14 87.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 1.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.33 -35.68 74.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -62.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.676 ' CE2' HG21 ' B' ' 26' ' ' ILE . 5.2 m-85 -52.16 -51.27 59.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.765 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -56.22 -58.47 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' B' ' 60' ' ' LYS . 2.6 m120 -43.32 -39.84 3.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 1.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -45.39 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 1.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.546 ' CD1' ' CD2' ' B' ' 23' ' ' LEU . 0.3 OUTLIER -58.37 -21.09 48.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 1.0 109.373 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -44.78 -26.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' B' ' 59' ' ' LEU . 13.3 tp -102.21 116.78 62.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.765 . . . . 1.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.695 HD13 HG23 ' B' ' 65' ' ' VAL . 0.2 OUTLIER -124.22 -176.39 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.92 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -122.97 87.75 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.801 HG22 ' HB ' ' B' ' 84' ' ' VAL . 76.8 t -88.03 138.24 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.627 ' HA ' HG11 ' B' ' 15' ' ' VAL . 10.3 tt0 -171.73 140.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 1.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.503 HD12 ' C ' ' B' ' 67' ' ' LEU . 1.2 pp -69.95 151.11 45.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 1.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.506 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.5 t -179.47 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 3.5 mt-30 -143.63 -82.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.414 ' HB3' ' NH1' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -162.17 151.59 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.927 HG22 ' HB2' ' B' ' 80' ' ' PHE . 60.8 t -130.24 103.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.423 ' CG ' ' ND2' ' A' ' 120' ' ' ASN . 1.6 mpt_? -93.51 97.8 10.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.708 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -93.83 115.91 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.548 HG22 ' H ' ' B' ' 75' ' ' ALA . 0.7 OUTLIER -174.75 -175.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 1.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.603 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . . . 42.01 47.25 3.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 76' ' ' ASN . 0.4 OUTLIER 43.05 53.94 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.501 ' OE1' ' CD2' ' A' ' 115' ' ' LEU . 1.2 pp20? -179.37 146.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.291 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' B' ' 7' ' ' MET . . . -106.61 128.69 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -128.49 103.87 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.927 ' HB2' HG22 ' B' ' 71' ' ' VAL . 29.5 p90 -125.58 169.61 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.471 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -121.0 134.93 55.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.638 ' CD2' HG13 ' B' ' 65' ' ' VAL . 52.4 p90 -134.06 168.62 18.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 1.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.5 OUTLIER -104.64 163.44 12.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 1.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.801 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.2 OUTLIER -141.2 114.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.461 1.1 . . . . 1.0 109.242 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.92 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.5 OUTLIER -87.58 117.25 26.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.746 ' CE1' HG23 ' B' ' 95' ' ' VAL . 1.4 p90 -154.62 142.72 20.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -114.55 133.22 55.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.3 OUTLIER -107.22 168.91 8.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.102 . . . . 1.0 111.008 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -63.91 74.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.18 . . . . 1.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 169.95 -31.14 0.15 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.603 1.189 . . . . 1.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.4 176.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 1.0 110.323 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -79.87 158.94 26.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.233 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.539 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 27.1 m -157.11 151.68 25.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 1.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -135.07 113.11 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.746 HG23 ' CE1' ' B' ' 86' ' ' PHE . 25.6 t -90.77 167.17 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.486 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -141.66 70.25 25.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.571 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.04 164.21 33.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 1.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.892 HG22 ' CE1' ' B' ' 100' ' ' HIS . 4.7 mt -114.81 133.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 1.0 109.355 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' B' ' 79' ' ' ALA . 0.7 OUTLIER -109.01 139.82 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.892 ' CE1' HG22 ' B' ' 98' ' ' ILE . 0.0 OUTLIER -138.92 97.56 3.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 1.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -93.61 129.36 39.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.443 ' HA ' ' CB ' ' B' ' 77' ' ' GLU . 1.8 tpp180 -95.96 127.95 42.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 1.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.757 ' CD2' HG22 ' B' ' 109' ' ' VAL . 20.8 m-85 -107.49 120.21 41.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 1.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 105' ' ' GLY . 11.2 m120 -157.97 -100.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 1.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.693 ' O ' ' HB3' ' B' ' 106' ' ' ALA . . . 30.1 41.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 1.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' B' ' 105' ' ' GLY . . . 84.54 -50.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 1.0 109.259 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 104' ' ' ASN . . . -174.8 58.1 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 1.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.82 163.45 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 1.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.757 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -73.05 124.87 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 1.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.595 ' O ' HG12 ' B' ' 110' ' ' VAL . 40.8 t -131.01 6.82 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.62 151.6 13.15 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 1.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.531 ' HE1' ' OH ' ' B' ' 55' ' ' TYR . 1.1 ptt? -170.62 137.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' B' ' 37' ' ' GLU . 21.2 ptt-85 -131.41 -179.1 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 1.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' B' ' 39' ' ' PRO . . . -142.82 171.05 14.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -147.7 110.92 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 1.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.57 ' CE1' ' CB ' ' B' ' 97' ' ' PRO . 5.0 m-85 -105.62 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 1.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -167.01 174.26 42.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -94.44 -24.38 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.24 11.82 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 1.0 109.213 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -111.66 28.71 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.679 HG12 HG22 ' B' ' 95' ' ' VAL . 3.5 mt -130.33 137.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.419 ' HB2' HG12 ' B' ' 94' ' ' VAL . 7.0 m-70 -128.75 105.14 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.582 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.08 169.07 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 173.65 40.19 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 1.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 1.0 109.275 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mmm . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.445 0.164 . . . . 1.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.55 85.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.677 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -154.84 154.6 29.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 110.364 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -26.12 11.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 1.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 6.1 pt-20 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 1.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.677 ' HB2' HG23 ' A' ' 3' ' ' THR . 7.7 t-160 -73.81 -45.77 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 1.0 109.61 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.96 ' HG2' ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -58.29 -58.25 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 1.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 m -59.99 -45.34 93.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 1.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' GLU . . . -58.3 -33.82 69.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.612 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 4.0 t -68.48 -44.18 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.714 HG22 ' CE2' ' A' ' 80' ' ' PHE . 73.1 t -57.02 -43.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -52.54 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 1.0 110.239 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -56.12 -38.14 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.689 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 81.7 t80 -61.33 -64.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.614 HG13 HG12 ' A' ' 65' ' ' VAL . 2.7 t -44.65 -44.4 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 1.0 109.215 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.25 27.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.542 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -59.93 -33.28 71.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.689 HD21 ' CZ ' ' A' ' 14' ' ' TYR . 3.9 mm? -63.26 -47.08 83.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -62.93 -35.09 78.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.21 -6.72 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 58.66 24.93 57.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 1.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.58 103.98 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 1.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.748 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -74.18 -62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 1.0 109.383 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -43.5 -41.37 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -64.94 -62.28 5.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.821 HG21 ' CE2' ' A' ' 55' ' ' TYR . 56.5 mt -51.44 -22.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.622 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 4.2 t -86.36 -30.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -85.4 -7.35 58.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.489 ' CD2' HG13 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -72.72 -68.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 1.013 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 28.7 p90 -75.34 -174.51 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 1.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.618 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -54.0 -171.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 1.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 48' ' ' THR . 17.1 t70 -109.77 -7.44 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 1.0 109.264 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -141.67 34.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 1.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -73.82 -177.95 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 46' ' ' SER . 2.7 p -129.47 122.08 28.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 1.0 110.345 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.733 HG21 HG23 ' A' ' 51' ' ' ILE . 47.9 t -102.89 143.12 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' CG ' ' HA ' ' A' ' 113' ' ' ARG . 9.5 pt-20 -150.93 101.87 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 1.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.503 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -135.73 126.81 17.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.4 Cg_endo -75.04 -74.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.001 -2.499 . . . . 1.0 111.01 0.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.734 ' HB ' ' HB2' ' B' ' 75' ' ' ALA . 1.3 t -144.44 142.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.83 26.82 18.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.431 1.082 . . . . 1.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -112.89 79.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.38 85.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 110.318 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 143.9 29.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 1.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -107.69 144.9 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 35' ' ' THR . 89.6 p -131.97 117.37 18.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.18 128.49 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 1.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.599 ' OG1' HG13 ' A' ' 27' ' ' VAL . 2.7 t -47.38 -23.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 1.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.64 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 1.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 54' ' ' PHE . . . -58.57 -38.46 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 1.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.013 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 76.6 mt -57.3 -39.53 68.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.645 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -71.58 -69.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 1.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -44.54 -32.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 1.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.4 t80 -71.99 -67.95 0.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.821 ' CE2' HG21 ' A' ' 26' ' ' ILE . 1.9 m-85 -45.42 -39.89 7.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 1.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.748 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . . . -65.36 -54.27 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.33 -28.26 11.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -55.1 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.559 HD12 ' CD2' ' A' ' 23' ' ' LEU . 1.8 mt -53.89 -20.14 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -39.92 -29.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 86' ' ' PHE . 12.6 tp -93.23 136.08 24.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.06 83.7 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 1.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.853 HD22 HG23 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -107.39 -175.0 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.81 109.74 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.614 HG12 HG13 ' A' ' 15' ' ' VAL . 3.0 t -92.83 141.66 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -168.38 143.94 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 1.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.65 179.41 7.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.414 HG22 ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER 178.56 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 1.0 110.412 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.487 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -63.36 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -171.66 176.97 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 110.292 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.896 HG22 ' CB ' ' A' ' 80' ' ' PHE . 90.2 t -124.47 139.37 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 1.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' NH2' ' ND2' ' B' ' 120' ' ' ASN . 0.1 OUTLIER -117.7 85.61 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 1.0 110.337 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.532 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -89.72 136.5 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.28 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.06 ' CG1' HG21 ' B' ' 40' ' ' VAL . 0.8 OUTLIER -152.63 -143.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -45.37 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 17.9 m-80 36.05 34.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.59 ' OE1' ' CE1' ' A' ' 100' ' ' HIS . 3.2 mt-10 -125.77 158.48 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 1.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.96 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -154.23 90.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.532 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -104.5 100.45 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.896 ' CB ' HG22 ' A' ' 71' ' ' VAL . 41.3 p90 -122.48 154.99 37.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -107.79 124.99 50.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.622 1.201 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.584 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 24.4 p90 -123.3 173.84 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 1.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.414 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -114.79 155.4 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 1.0 110.386 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.921 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 1.4 p -151.74 109.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -98.69 134.32 41.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 110.057 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.921 ' CZ ' HG22 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -120.69 167.42 12.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 37.7 tt0 -150.55 140.29 21.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' O ' ' CG ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -179.35 134.62 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 1.0 110.934 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 55.41 44.8 26.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 1.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.06 6.51 46.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 1.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 27.5 mtt180 -91.83 154.91 18.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 1.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 124' ' ' GLY . 16.5 mttp -151.6 122.43 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 94' ' ' VAL . 2.8 m -127.63 170.68 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.4 p -148.0 96.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 1.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.018 HG12 ' HD3' ' A' ' 97' ' ' PRO . 41.3 t -88.14 142.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -122.61 70.01 35.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 1.018 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.0 Cg_endo -74.99 170.41 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 1.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.72 HD11 ' OE1' ' B' ' 70' ' ' GLU . 4.3 mt -118.27 122.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 1.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -90.36 125.21 35.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.258 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.59 ' CE1' ' OE1' ' A' ' 77' ' ' GLU . 51.8 t-80 -114.6 95.93 5.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 1.0 109.575 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.677 ' CD1' HG11 ' A' ' 109' ' ' VAL . 7.1 m-85 -90.28 143.62 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.488 ' CG ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -131.02 92.92 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.612 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 2.6 m-85 -67.25 156.17 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 0.6 OUTLIER 156.48 -172.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 1.0 109.239 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . 37.79 91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.384 1.053 . . . . 1.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 105' ' ' GLY . . . 81.87 -3.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 1.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.08 23.76 56.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 1.0 110.973 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -114.33 167.88 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 1.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 101' ' ' PHE . 31.4 t -76.4 115.51 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 109.385 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.507 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 62.5 t -115.11 -12.03 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 1.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 102' ' ' ARG . 0.5 OUTLIER -128.01 124.93 38.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.026 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.542 ' HG2' HG13 ' A' ' 36' ' ' VAL . 2.3 ttp -136.51 99.75 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 1.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 115' ' ' LEU . 2.6 ttm-85 -118.83 123.26 44.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 1.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -103.56 117.0 33.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.171 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.52 HD13 ' NE2' ' B' ' 100' ' ' HIS . 0.4 OUTLIER -95.87 120.79 36.77 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 97' ' ' PRO . 3.5 m-85 -101.35 -175.2 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.734 ' O ' HD13 ' A' ' 121' ' ' ILE . . . -158.05 -173.14 26.08 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.508 1.13 . . . . 1.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.94 -18.11 13.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 1.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -109.2 14.88 23.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 1.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.531 ' C ' HD12 ' A' ' 121' ' ' ILE . 43.0 m-80 -111.56 -12.77 13.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 1.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.821 HG13 HG13 ' A' ' 95' ' ' VAL . 1.9 mp -102.91 135.33 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -133.9 102.93 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.606 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.51 161.41 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 92' ' ' LYS . . . -172.87 -173.24 39.19 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 1.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 1.0 109.265 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.524 0.202 . . . . 1.0 111.049 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -82.48 85.27 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.3 p -127.22 155.51 76.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 1.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.416 ' HA ' ' HB1' ' B' ' 73' ' ' ALA . 18.1 Cg_endo -75.04 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.771 . . . . 1.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.58 84.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.326 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -70.54 -44.12 68.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.571 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.796 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -56.27 -54.83 40.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.806 HG23 HG11 ' B' ' 71' ' ' VAL . 7.4 m -59.05 -49.84 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.28 -37.96 67.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 1.0 109.296 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.733 HG21 ' HZ ' ' B' ' 103' ' ' PHE . 3.4 t -68.16 -35.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 1.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' B' ' 80' ' ' PHE . 6.4 t -65.0 -49.34 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.71 -53.9 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.36 -41.51 76.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.482 ' HH ' ' HH ' ' B' ' 55' ' ' TYR . 21.3 t80 -56.81 -53.9 52.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 1.0 111.062 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' B' ' 66' ' ' GLU . 53.6 t -54.25 -57.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.75 -42.3 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -63.48 -48.65 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.83 -55.25 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.76 -26.33 68.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 1.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.43 -11.75 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 65.39 25.19 71.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.546 1.154 . . . . 1.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.63 ' O ' HD12 ' B' ' 26' ' ' ILE . 13.4 t0 -84.53 87.91 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 1.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.553 HD21 ' CB ' ' B' ' 55' ' ' TYR . 2.0 mt -65.61 -59.01 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -51.65 -43.28 62.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -59.73 9.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 1.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.63 HD12 ' O ' ' B' ' 22' ' ' ASP . 9.0 mt -50.74 -39.95 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.646 HG22 ' CG2' ' B' ' 51' ' ' ILE . 41.6 t -65.08 -34.88 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 1.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.47 57.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -60.54 -46.04 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 1.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.769 ' HE1' HD13 ' B' ' 51' ' ' ILE . 5.4 p90 -113.09 -175.37 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.796 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -52.42 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.455 ' O ' HG23 ' B' ' 48' ' ' THR . 31.5 m-20 -106.35 -19.95 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 1.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.85 21.3 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -62.4 153.87 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 1.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.703 HG22 ' CB ' ' B' ' 46' ' ' SER . 20.5 p -100.91 124.99 47.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 1.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.665 HG21 HG12 ' B' ' 51' ' ' ILE . 21.4 t -100.56 138.02 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -126.76 63.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.6 ' CG ' ' CZ ' ' B' ' 54' ' ' PHE . 0.9 OUTLIER -115.8 134.33 22.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 1.0 109.289 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.772 ' O ' ' HB3' ' B' ' 114' ' ' ALA . 18.3 Cg_endo -74.93 -57.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.095 0 C-N-CA 121.025 -2.489 . . . . 1.0 110.983 -0.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 1.06 HG21 ' CG1' ' A' ' 74' ' ' VAL . 2.5 t -112.48 -174.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.814 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -53.77 -17.37 6.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.554 1.159 . . . . 1.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -57.97 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 0.718 . . . . 1.0 110.019 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' GLY . 0.2 OUTLIER 83.84 86.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 1.0 110.263 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.808 . . . . 1.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.521 ' CD ' ' HB1' ' B' ' 50' ' ' ALA . 9.4 mtt180 -160.02 175.26 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.703 ' CB ' HG22 ' B' ' 35' ' ' THR . 1.3 p 178.61 150.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 1.0 110.08 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.62 155.84 30.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 32' ' ' ASP . 29.8 p -64.8 -15.97 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 0.812 . . . . 1.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -74.08 -59.78 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.521 ' HB1' ' CD ' ' B' ' 45' ' ' ARG . . . -67.8 -33.61 75.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.769 HD13 ' HE1' ' B' ' 30' ' ' PHE . 20.9 mt -63.64 -65.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 2.6 ttp180 -56.49 -48.04 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 62.8 tt0 -54.49 -35.87 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 110.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.6 ' CZ ' ' CG ' ' B' ' 38' ' ' ASP . 0.2 OUTLIER -74.83 -72.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.846 ' O ' HD12 ' B' ' 59' ' ' LEU . 4.4 m-85 -46.26 -25.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 1.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -77.04 -67.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -50.58 -22.97 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -85.69 -46.84 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 1.0 109.954 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.846 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.6 OUTLIER -60.5 -21.7 62.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 1.0 109.233 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -19.62 8.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.527 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -99.46 140.11 21.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 1.0 109.241 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.96 55.08 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 1.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.925 ' O ' HD13 ' B' ' 63' ' ' LEU . 0.0 OUTLIER -93.89 132.13 38.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 1.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.746 ' N ' HD22 ' B' ' 63' ' ' LEU . . . -108.07 98.8 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.822 HG23 HD21 ' B' ' 63' ' ' LEU . 1.6 t -93.49 146.86 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.575 ' HA ' HG11 ' B' ' 15' ' ' VAL . 4.1 tt0 -167.49 138.19 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 1.0 110.27 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.489 HD22 HG12 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -74.29 140.5 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 1.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.479 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 73.3 p -114.55 -23.26 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.807 HE22 ' HB3' ' B' ' 81' ' ' ALA . 0.2 OUTLIER 171.23 -172.56 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 1.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.72 ' OE1' HD11 ' A' ' 98' ' ' ILE . 2.2 mt-10 60.33 116.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 1.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.806 HG11 HG23 ' B' ' 8' ' ' THR . 42.6 t -155.21 70.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.462 ' CG ' HD12 ' A' ' 98' ' ' ILE . 14.0 mmt85 -66.25 92.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.584 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -97.82 79.34 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.444 HG11 HG23 ' A' ' 40' ' ' VAL . 1.5 t -138.78 161.08 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.734 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . . . 48.05 50.15 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.551 HD21 ' N ' ' B' ' 105' ' ' GLY . 2.0 t-20 45.41 43.65 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.414 ' OE1' ' CG ' ' B' ' 102' ' ' ARG . 2.0 tp10 -148.1 126.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.796 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -109.66 96.41 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.701 ' CB ' ' CE1' ' B' ' 100' ' ' HIS . . . -100.69 100.07 10.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.687 ' CZ ' ' CB ' ' B' ' 99' ' ' ASP . 26.4 p90 -112.24 161.26 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 1.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.807 ' HB3' HE22 ' B' ' 69' ' ' GLN . . . -115.32 116.02 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 1.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' B' ' 96' ' ' ALA . 28.9 p90 -116.2 -168.8 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.159 . . . . 1.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.1 OUTLIER -128.02 160.71 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 1.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.563 ' HB ' HD21 ' B' ' 63' ' ' LEU . 0.9 OUTLIER -137.81 113.69 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 1.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -94.87 114.55 26.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 1.0 110.059 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.599 ' HE1' HG23 ' B' ' 95' ' ' VAL . 2.1 p90 -153.08 147.41 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -118.79 133.56 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -110.32 170.15 8.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.978 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -63.68 72.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 1.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 172.81 -32.16 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 1.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 166.06 179.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 1.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.586 ' HD3' ' HB2' ' B' ' 125' ' ' ALA . 1.0 OUTLIER -89.03 156.41 18.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 1.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.599 ' CG2' ' CG2' ' B' ' 121' ' ' ILE . 33.1 m -156.75 144.78 19.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -127.44 113.94 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 1.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.625 HG13 HG13 ' B' ' 121' ' ' ILE . 13.1 t -93.24 166.71 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -140.09 67.18 33.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.49 ' HG2' ' CE2' ' B' ' 82' ' ' PHE . 18.1 Cg_endo -75.02 163.28 35.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.5 HG23 ' O ' ' B' ' 80' ' ' PHE . 3.4 mt -111.89 123.56 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.687 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.9 OUTLIER -92.44 119.58 32.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.368 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.701 ' CE1' ' CB ' ' B' ' 79' ' ' ALA . 0.2 OUTLIER -101.93 93.82 5.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 1.0 109.573 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' B' ' 77' ' ' GLU . 9.9 m-30 -84.41 143.04 29.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.155 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' OE1' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -126.18 123.94 39.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 1.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.733 ' HZ ' HG21 ' B' ' 10' ' ' VAL . 0.8 OUTLIER -107.09 138.22 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' B' ' 105' ' ' GLY . 8.8 t-20 -91.33 110.64 21.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.551 ' N ' HD21 ' B' ' 76' ' ' ASN . . . -36.99 -36.31 0.18 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.135 . . . . 1.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.58 85.37 2.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 0.74 . . . . 1.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' B' ' 108' ' ' LYS . . . 153.69 -21.9 0.71 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 1.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' B' ' 107' ' ' GLY . 2.5 mttt 87.33 -174.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 0.8 . . . . 1.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.663 HG23 ' CE1' ' B' ' 103' ' ' PHE . 43.9 t -53.55 115.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.796 HG22 ' HB2' ' B' ' 31' ' ' ALA . 53.6 t -134.08 8.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 109.332 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.81 138.24 18.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.754 ' HE2' ' CG ' ' B' ' 30' ' ' PHE . 1.6 mtt -146.99 151.27 36.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -152.73 169.99 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 1.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' B' ' 39' ' ' PRO . . . -143.87 167.27 22.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -148.13 110.42 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.554 ' O ' ' CG ' ' B' ' 116' ' ' PHE . 3.5 p90 -120.04 123.48 43.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.503 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -103.98 173.34 21.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 1.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.472 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.2 OUTLIER -93.08 -10.25 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.786 . . . . 1.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -104.46 11.48 34.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.499 ' ND2' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -115.45 30.71 7.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.625 HG13 HG13 ' B' ' 95' ' ' VAL . 2.1 mt -127.06 140.66 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.54 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.2 OUTLIER -130.97 100.38 5.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 1.0 109.608 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.52 173.25 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' B' ' 125' ' ' ALA . . . 172.92 177.23 42.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.506 1.129 . . . . 1.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 0.798 . . . . 1.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.476 0.179 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.421 ' HA ' ' ND2' ' A' ' 76' ' ' ASN . 25.2 t-20 177.7 54.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 1.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -128.39 155.65 78.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.07 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -30.81 6.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.545 1.813 . . . . 1.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -45.86 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 1.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 10' ' ' VAL . 47.7 t60 -69.49 -47.55 63.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 109.644 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.477 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -56.29 -54.6 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 1.0 110.984 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 1.025 HG23 HG11 ' A' ' 71' ' ' VAL . 18.5 m -61.07 -37.36 82.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 1.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.42 94.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 103' ' ' PHE . 78.0 t -64.39 -35.07 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.6 t -65.38 -51.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 1.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -60.04 -46.57 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.43 -43.4 98.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 1.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.445 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 39.4 t80 -56.2 -49.61 73.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 1.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.867 HG11 ' H ' ' A' ' 67' ' ' LEU . 97.1 t -58.39 -62.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -42.28 -38.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -68.28 -46.77 69.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.387 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.012 HD23 HG11 ' A' ' 65' ' ' VAL . 9.6 tp -57.98 -57.66 11.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 65' ' ' VAL . 4.9 t-20 -57.67 -41.18 81.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' ALA . . . -61.0 -18.58 58.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 82.89 7.34 87.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.583 1.177 . . . . 1.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.629 ' O ' HD12 ' A' ' 26' ' ' ILE . 15.0 m-20 -65.96 74.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 1.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.916 HD23 HD13 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -56.89 -60.0 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -50.86 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.55 -42.02 19.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 1.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 22' ' ' ASP . 15.0 mt -66.58 -48.5 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.93 HG21 ' HB2' ' A' ' 52' ' ' ARG . 3.3 t -60.77 -19.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.619 1.199 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.93 -22.39 17.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.387 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 1.6 tt -54.42 -40.16 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.155 . . . . 1.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 51' ' ' ILE . 1.9 p90 -114.09 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 1.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -44.55 166.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.683 ' O ' HG22 ' A' ' 48' ' ' THR . 3.2 p-10 -94.31 -16.88 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.63 19.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 1.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.719 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -63.75 158.82 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.613 HG22 ' HB2' ' A' ' 46' ' ' SER . 30.6 p -113.57 123.93 51.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 1.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.762 HG21 HG23 ' A' ' 51' ' ' ILE . 23.4 t -102.86 159.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' A' ' 113' ' ' ARG . 11.7 tp10 -155.84 73.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -144.32 150.02 46.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 1.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.498 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.96 -63.26 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.981 -2.508 . . . . 1.0 111.008 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.914 HG21 HG11 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -151.78 -175.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.183 . . . . 1.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.15 12.25 37.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 1.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p 63.2 -178.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 0.763 . . . . 1.0 109.93 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.55 76.23 0.14 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.4 22.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.583 1.833 . . . . 1.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -130.22 119.26 22.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.613 ' HB2' HG22 ' A' ' 35' ' ' THR . 8.5 p -106.45 132.6 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 1.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.92 127.99 5.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 1.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -47.72 -23.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 1.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.89 -50.67 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 45' ' ' ARG . . . -70.13 -36.02 74.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.762 HG23 HG21 ' A' ' 36' ' ' VAL . 61.7 mt -64.12 -66.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.93 ' HB2' HG21 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -51.4 -38.63 54.45 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 1.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.03 -49.82 74.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -62.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.504 ' HD2' HG22 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -45.78 -39.93 8.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 1.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -67.37 -52.52 38.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.34 -25.15 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -76.86 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 1.0 110.032 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.916 HD13 HD23 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -53.82 -19.82 4.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 86' ' ' PHE . 14.4 tp -93.65 139.28 22.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.076 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.523 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.01 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 1.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.842 HD22 HG23 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -84.63 -175.1 5.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.55 98.35 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.012 HG11 HD23 ' A' ' 18' ' ' LEU . 54.6 t -93.96 140.3 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.503 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 1.1 tt0 -171.84 130.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.867 ' H ' HG11 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -64.24 165.51 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.828 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -139.76 -44.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 110.397 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' CD ' ' OG1' ' A' ' 68' ' ' THR . 0.0 OUTLIER -170.68 -169.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 1.0 110.242 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.615 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 59.85 119.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.025 HG11 HG23 ' A' ' 8' ' ' THR . 58.7 t -157.61 61.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.922 HH21 ' H ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -58.8 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -95.01 117.65 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.68 153.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.98 50.69 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 1.0 109.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER 50.29 30.03 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.4 mt-10 -129.21 169.5 14.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.55 102.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.704 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -102.32 92.9 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.663 ' CZ ' ' CB ' ' A' ' 99' ' ' ASP . 38.8 p90 -105.37 158.16 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -113.59 113.84 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 29.2 p90 -113.35 -177.82 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -118.93 164.17 15.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.107 . . . . 1.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.93 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 1.3 p -159.46 106.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 93' ' ' THR . 5.7 t -97.86 136.59 37.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.93 ' CZ ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -124.26 170.3 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.961 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 14.6 tt0 -142.77 110.12 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 1.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -96.05 -171.72 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 111.04 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -54.77 83.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 1.0 110.324 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 72.11 40.84 55.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.596 1.185 . . . . 1.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 18.4 mtp180 -153.05 165.26 36.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 1.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -149.51 158.85 44.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 1.0 109.302 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 85' ' ' SER . 98.1 m -151.71 166.3 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -142.8 96.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.911 HG12 ' HD3' ' A' ' 97' ' ' PRO . 58.4 t -92.72 146.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -126.44 70.63 70.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.911 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.4 Cg_endo -74.94 163.4 35.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 111.031 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.743 HD12 ' HG3' ' B' ' 72' ' ' ARG . 27.4 mt -113.72 118.83 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.663 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 3.0 m-20 -94.62 135.87 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.704 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 10.1 t-160 -123.58 108.4 12.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 15.4 m-30 -97.62 157.91 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -148.15 109.05 4.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.0 110.309 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.957 ' CD1' HG22 ' A' ' 109' ' ' VAL . 5.7 m-30 -93.88 157.0 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -170.63 -174.18 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 1.0 109.294 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.691 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . 65.02 9.94 43.69 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.403 1.064 . . . . 1.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 105' ' ' GLY . . . 83.42 77.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 1.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.13 46.77 77.85 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 1.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -139.28 104.1 4.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.482 0.754 . . . . 1.0 109.383 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.957 HG22 ' CD1' ' A' ' 103' ' ' PHE . 12.6 t -75.66 116.64 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 1.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.71 HG13 ' HA ' ' A' ' 34' ' ' ALA . 21.2 t -134.11 9.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.33 113.38 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 1.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.74 ' SD ' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -148.76 133.92 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -141.66 178.75 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB2' ' OD2' ' A' ' 99' ' ' ASP . . . -144.69 168.24 20.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 1.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.509 HD21 ' OE2' ' B' ' 77' ' ' GLU . 0.3 OUTLIER -150.71 108.62 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 97' ' ' PRO . 1.1 m-85 -69.37 -175.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.54 175.05 21.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 1.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -123.06 -3.37 8.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 0.786 . . . . 1.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -133.18 9.24 4.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.738 ' C ' HD12 ' A' ' 121' ' ' ILE . 1.3 m-20 -113.67 27.01 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 120' ' ' ASN . 2.8 mp -121.61 138.41 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 122' ' ' HIS . 0.6 OUTLIER -128.39 104.37 7.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.0 109.602 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.93 18.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.26 175.44 46.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 1.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 1.0 109.338 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.453 ' HG3' ' CG2' ' B' ' 3' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.538 0.209 . . . . 1.0 110.956 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' B' ' 76' ' ' ASN . 0.6 OUTLIER -79.35 98.48 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 1.0 109.36 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.453 ' CG2' ' HG3' ' B' ' 1' ' ' MET . 9.7 p -128.38 155.74 78.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 1.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.36 9.22 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 1.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.51 -38.89 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -72.33 -48.21 43.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 1.0 109.643 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.0 mtm -57.08 -53.92 52.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.443 1.089 . . . . 1.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -60.47 -44.07 96.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.435 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.79 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.72 HG21 ' HZ ' ' B' ' 103' ' ' PHE . 2.6 t -63.12 -57.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE1' ' B' ' 80' ' ' PHE . 3.3 t -52.88 -36.12 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.59 -54.17 31.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 1.0 110.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -34.77 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.543 ' HH ' ' HE1' ' B' ' 55' ' ' TYR . 9.0 t80 -65.56 -50.39 65.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.403 HG21 HD23 ' B' ' 67' ' ' LEU . 2.9 t -55.5 -46.17 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.03 -64.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 1.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -42.29 -37.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.621 ' HA ' HD11 ' B' ' 26' ' ' ILE . 9.7 tp -60.97 -57.84 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 1.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -60.06 -16.05 28.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 1.0 109.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.86 -29.69 23.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 1.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.412 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 88.28 20.05 50.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.524 ' O ' HD12 ' B' ' 26' ' ' ILE . 47.1 t0 -80.64 90.24 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.882 HD11 ' HA ' ' B' ' 56' ' ' ALA . 1.4 mt -71.91 -60.19 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -47.91 -49.66 29.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.38 -61.29 6.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 1.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.621 HD11 ' HA ' ' B' ' 18' ' ' LEU . 43.7 mt -41.8 -35.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 1.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.978 HG13 HG23 ' B' ' 48' ' ' THR . 1.0 OUTLIER -71.1 -47.64 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -69.45 -6.57 31.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 109.238 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.06 -37.26 82.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.928 ' CE2' HG21 ' B' ' 51' ' ' ILE . 0.8 OUTLIER -117.59 -174.31 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 1.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.649 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -43.9 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.525 ' C ' ' OG1' ' B' ' 48' ' ' THR . 2.6 p30 -80.33 -1.83 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 34' ' ' ALA . 9.0 t0 -129.91 -76.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 1.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' B' ' 110' ' ' VAL . . . 43.86 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 1.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.569 HG22 ' CB ' ' B' ' 46' ' ' SER . 64.4 p -149.73 127.97 12.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.775 HG23 HG12 ' B' ' 51' ' ' ILE . 14.0 t -109.93 136.85 44.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.541 ' O ' ' CG ' ' B' ' 37' ' ' GLU . 0.2 OUTLIER -145.25 109.22 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 1.0 110.359 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -161.62 145.82 9.85 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.629 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -74.98 -70.87 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.056 -2.477 . . . . 1.0 110.957 -0.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.629 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -163.61 175.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.177 . . . . 1.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 127.8 -1.4 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 1.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.2 m 86.81 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 1.0 110.09 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' B' ' 44' ' ' PRO . 6.3 tp10 -179.55 62.11 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.06 166.07 29.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.485 1.781 . . . . 1.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.5 OUTLIER -131.72 144.37 50.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.569 ' CB ' HG22 ' B' ' 35' ' ' THR . 96.2 p -132.53 140.96 48.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 1.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.32 125.94 5.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.388 1.055 . . . . 1.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.978 HG23 HG13 ' B' ' 27' ' ' VAL . 2.7 m -53.36 -19.44 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -53.79 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.01 -25.06 65.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.928 HG21 ' CE2' ' B' ' 30' ' ' PHE . 65.2 mt -71.74 -45.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.871 ' HB2' HG21 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -69.24 -44.61 71.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.03 -46.36 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -61.38 -60.6 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.874 ' O ' HD12 ' B' ' 59' ' ' LEU . 1.6 m-85 -58.03 -22.17 48.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.882 ' HA ' HD11 ' B' ' 23' ' ' LEU . . . -72.03 -68.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 1.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' B' ' 57' ' ' ASN . 0.9 OUTLIER -47.4 -35.22 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.424 ' N ' ' ND2' ' B' ' 57' ' ' ASN . 36.6 t -71.64 -46.38 59.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 109.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.874 HD12 ' O ' ' B' ' 55' ' ' TYR . 0.2 OUTLIER -59.2 -23.62 62.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 1.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -44.27 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.525 HD12 ' HD2' ' B' ' 62' ' ' PRO . 9.6 tp -95.83 140.52 22.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.525 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.2 Cg_endo -74.98 54.95 3.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 1.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.494 ' HG ' HD23 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -57.03 160.87 3.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.898 ' HB3' ' HB2' ' B' ' 85' ' ' SER . . . -132.03 64.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.726 HG13 ' HD2' ' B' ' 82' ' ' PHE . 55.2 t -69.3 139.3 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' B' ' 67' ' ' LEU . 25.6 tp10 -161.74 142.56 10.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.108 . . . . 1.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' B' ' 82' ' ' PHE . 0.2 OUTLIER -76.64 169.72 17.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 1.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.418 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 0.1 OUTLIER -175.07 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 1.0 110.346 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.15 -101.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.834 ' CD ' HH21 ' B' ' 72' ' ' ARG . 3.3 pt-20 -169.79 176.8 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.928 HG22 ' CB ' ' B' ' 80' ' ' PHE . 95.8 t -122.84 138.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.834 HH21 ' CD ' ' B' ' 70' ' ' GLU . 0.0 OUTLIER -114.46 84.86 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.52 137.53 32.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 1.0 109.367 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 40' ' ' VAL . 1.5 t -147.48 -148.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.533 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -48.76 97.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' B' ' 2' ' ' ASN . 8.6 m-80 39.17 31.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 0.1 OUTLIER -123.88 156.98 35.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.253 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.51 94.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.48 100.07 9.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.234 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.928 ' CB ' HG22 ' B' ' 71' ' ' VAL . 22.7 p90 -117.49 157.54 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -107.85 119.11 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 1.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.726 ' HD2' HG13 ' B' ' 65' ' ' VAL . 7.3 p90 -121.75 162.18 21.29 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.596 1.185 . . . . 1.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.0 OUTLIER -107.72 160.35 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.413 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.712 HG12 ' CE2' ' B' ' 82' ' ' PHE . 0.7 OUTLIER -136.96 115.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 1.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.898 ' HB2' ' HB3' ' B' ' 64' ' ' ALA . 0.4 OUTLIER -94.51 114.37 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 109.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.616 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.6 p90 -147.47 147.38 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.453 ' CG ' ' HG3' ' B' ' 92' ' ' LYS . 54.2 tt0 -124.91 129.98 51.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -106.03 166.36 10.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.58 71.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 174.18 -32.81 0.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.574 1.171 . . . . 1.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' B' ' 90' ' ' GLY . 2.4 mtt-85 172.87 -179.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 0.776 . . . . 1.0 110.375 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.453 ' HG3' ' CG ' ' B' ' 87' ' ' GLU . 10.1 mttt -95.78 158.78 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.63 HG23 ' HA ' ' B' ' 123' ' ' ALA . 4.0 m -155.02 146.4 23.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.8 OUTLIER -130.87 116.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.755 HG13 HG13 ' B' ' 121' ' ' ILE . 3.4 t -96.44 162.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.46 ' O ' ' ND2' ' B' ' 120' ' ' ASN . . . -142.81 63.53 13.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 1.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.577 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -74.97 162.8 36.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 1.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.546 HD12 ' HD2' ' A' ' 72' ' ' ARG . 48.4 mt -111.58 118.76 58.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.611 ' CG ' ' CZ ' ' B' ' 80' ' ' PHE . 0.0 OUTLIER -97.79 131.6 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -129.34 116.23 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.0 109.566 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' B' ' 99' ' ' ASP . 2.4 m-85 -121.43 159.25 26.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 1.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' B' ' 76' ' ' ASN . 1.6 ptt85 -133.74 135.81 44.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 1.0 110.312 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.778 ' CE1' HG22 ' B' ' 109' ' ' VAL . 2.2 m-85 -84.39 151.25 24.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 1.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' B' ' 105' ' ' GLY . 1.2 t-20 -124.46 -179.31 4.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' B' ' 104' ' ' ASN . . . -35.92 152.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 1.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.81 14.92 6.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 0.702 . . . . 1.0 109.239 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 51.21 64.43 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 1.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 131.52 31.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 1.0 109.328 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.778 HG22 ' CE1' ' B' ' 103' ' ' PHE . 2.7 t -66.1 117.56 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.68 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 94.8 t -116.28 -15.04 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 1.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . 0.423 ' CB ' ' HG2' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -129.45 124.55 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.46 ' HG3' HG22 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -144.55 118.42 9.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 111.071 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CB ' ' HG3' ' B' ' 37' ' ' GLU . 4.0 mtm-85 -131.16 162.18 30.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 1.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -125.13 165.04 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.82 107.86 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -125.13 148.81 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.434 ' N ' ' OD1' ' B' ' 120' ' ' ASN . . . -123.84 -173.27 13.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.84 -27.09 44.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 1.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 5.71 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' B' ' 96' ' ' ALA . 3.6 m120 -89.97 -19.07 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 109.248 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.755 HG13 HG13 ' B' ' 95' ' ' VAL . 2.3 mp -96.29 135.21 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -131.8 95.46 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 1.0 109.525 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.63 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -53.36 165.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . 0.57 ' O ' ' HB2' ' B' ' 125' ' ' ALA . . . 179.08 173.43 44.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 1.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.736 . . . . 1.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.469 0.176 . . . . 1.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER 58.42 165.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 1.0 109.368 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -129.89 151.76 78.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.423 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -34.89 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 1.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.07 -41.79 79.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.595 ' O ' HG23 ' A' ' 10' ' ' VAL . 9.4 m170 -76.64 -53.02 8.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 1.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.83 ' HG2' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -47.8 -42.2 25.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -73.53 -51.74 15.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 1.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.8 -36.98 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.377 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.771 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 84.2 t -72.31 -52.01 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.649 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 3.9 t -50.76 -35.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -65.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 1.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -25.39 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 15.7 t80 -74.41 -57.34 4.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 1.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.001 HG21 HD23 ' A' ' 67' ' ' LEU . 2.9 t -49.54 -46.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.27 -63.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -42.55 -37.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HA ' HD11 ' A' ' 26' ' ' ILE . 30.9 tp -63.12 -53.72 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -60.78 -17.9 51.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.13 -24.42 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 59' ' ' LEU . . . 78.07 41.67 17.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 1.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.59 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -94.26 95.44 8.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 1.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.3 mt -70.82 -51.7 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 1.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -46.12 87.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -61.65 -61.97 6.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.706 HG22 ' HE2' ' A' ' 30' ' ' PHE . 53.8 mt -49.33 -36.01 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 1.0 109.215 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.9 t -69.29 -35.53 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -76.74 -16.91 59.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 29' ' ' LEU . 1.3 mt -64.3 -66.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.706 ' HE2' HG22 ' A' ' 26' ' ' ILE . 29.5 p90 -88.12 -175.47 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -51.13 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -111.64 -13.29 13.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.269 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -115.66 6.54 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 1.0 109.261 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -56.54 176.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.585 HG22 ' CB ' ' A' ' 46' ' ' SER . 48.0 p -132.87 123.65 26.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.459 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 HG12 ' A' ' 51' ' ' ILE . 82.5 t -90.59 137.82 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -145.74 63.75 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -131.43 141.63 42.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 1.0 109.408 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.557 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.07 -65.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.953 -2.519 . . . . 1.0 111.025 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.92 HG21 HG11 ' B' ' 74' ' ' VAL . 0.6 OUTLIER -148.4 -176.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.545 ' H ' HG12 ' A' ' 40' ' ' VAL . . . 108.8 5.6 31.11 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.419 1.074 . . . . 1.0 111.066 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 m 63.37 -178.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 1.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.25 65.76 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 18.3 Cg_endo -74.95 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.495 1.787 . . . . 1.0 111.078 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.787 ' CG ' ' HB1' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -128.29 107.39 9.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.585 ' CB ' HG22 ' A' ' 35' ' ' THR . 6.5 p -90.68 139.61 30.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 1.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 96.38 124.13 4.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 1.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -41.86 -27.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 1.0 110.415 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -65.02 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.787 ' HB1' ' CG ' ' A' ' 45' ' ' ARG . . . -55.92 -36.44 67.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.726 HG12 HG23 ' A' ' 36' ' ' VAL . 78.9 mt -62.84 -44.31 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -59.03 6.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 1.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 45.1 tt0 -49.19 -42.73 40.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 1.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.55 -62.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 1.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 26' ' ' ILE . 4.7 m-85 -55.7 -18.13 7.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 53' ' ' GLU . . . -76.06 -66.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' ND2' ' C ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -51.01 -29.96 13.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 109.287 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -76.98 -51.89 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.961 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.444 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 11.0 mt -56.62 -20.65 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.65 -27.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 1.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.6 tp -101.33 139.96 20.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 1.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.03 56.56 4.31 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.787 . . . . 1.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.591 HD22 HG23 ' A' ' 84' ' ' VAL . 15.3 mt -53.13 165.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 1.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.764 ' HB3' ' HB3' ' A' ' 85' ' ' SER . . . -133.4 63.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.769 HG22 ' HB ' ' A' ' 84' ' ' VAL . 96.1 t -76.37 137.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 1.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . 41.1 tt0 -156.5 145.97 20.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 1.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.001 HD23 HG21 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -76.87 144.41 39.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.52 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER 175.26 68.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 110.426 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER 178.35 -150.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.1 156.22 17.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.0 110.36 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.901 HG22 ' HB2' ' A' ' 80' ' ' PHE . 96.3 t -129.18 102.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.708 ' NH2' HD21 ' B' ' 120' ' ' ASN . 0.0 OUTLIER -71.67 79.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 77' ' ' GLU . . . -97.11 111.46 23.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.53 155.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB2' ' N ' ' B' ' 41' ' ' GLY . . . 54.38 50.42 16.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.8 m120 51.64 26.13 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 5.0 tt0 -121.29 165.96 14.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 1.0 110.382 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.83 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -157.09 90.76 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.828 ' HB1' ' CD2' ' A' ' 100' ' ' HIS . . . -108.0 95.73 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.901 ' HB2' HG22 ' A' ' 71' ' ' VAL . 50.5 p90 -112.16 163.9 13.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . . . -115.25 121.34 42.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.653 ' CD2' HG13 ' A' ' 65' ' ' VAL . 35.8 p90 -125.22 168.62 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.52 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.5 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 110.413 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.769 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -146.09 98.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.0 109.257 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.764 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 1.3 t -81.06 141.35 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.641 ' CE1' HG23 ' A' ' 95' ' ' VAL . 3.0 p90 -158.93 144.48 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 2.0 tm-20 -109.22 112.23 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.01 139.84 52.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 52.11 50.63 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.32 30.6 25.69 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 1.0 110.993 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 1.2 ttm-85 -128.36 142.73 51.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 0.74 . . . . 1.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.45 118.75 37.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 1.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 10.1 m -130.23 147.49 51.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.386 1.054 . . . . 1.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.4 OUTLIER -124.9 120.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.719 HG13 HG13 ' A' ' 121' ' ' ILE . 9.1 t -99.5 163.48 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 82' ' ' PHE . . . -142.03 66.14 20.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 169.93 21.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 1.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.629 HD12 ' HD2' ' B' ' 72' ' ' ARG . 1.4 mt -115.1 126.4 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.594 ' OD2' ' CE1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -98.57 129.28 45.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 1.0 109.31 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.828 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 43.3 m170 -114.57 116.51 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 1.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.663 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . 16.5 m-30 -113.26 139.91 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -119.63 97.74 5.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 1.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.771 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 1.2 m-85 -75.17 117.72 17.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 1.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.454 ' CG ' ' N ' ' A' ' 105' ' ' GLY . 4.5 p30 176.99 -147.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 1.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.671 ' HA3' HG21 ' A' ' 110' ' ' VAL . . . 58.46 15.0 22.71 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.457 1.098 . . . . 1.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 57.66 15.66 3.01 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.44 0.73 . . . . 1.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -133.45 4.37 4.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 1.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.902 ' O ' HG23 ' A' ' 110' ' ' VAL . 5.0 mttt 91.42 -161.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.616 HG23 ' CE2' ' A' ' 103' ' ' PHE . 85.8 t -38.33 114.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 109.258 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 108' ' ' LYS . 88.9 t -114.52 -30.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.49 112.16 23.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 1.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' GLU . 1.1 ttp -123.74 115.34 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -143.25 135.83 27.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 110.293 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -104.41 166.84 10.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.804 HD23 ' CG2' ' B' ' 74' ' ' VAL . 0.5 OUTLIER -147.49 106.42 3.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 1.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -122.18 127.3 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 121' ' ' ILE . . . -108.96 173.07 17.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 1.6 tt0 -76.5 -2.48 32.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 0.767 . . . . 1.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.81 27.22 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -139.64 24.83 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.719 HG13 HG13 ' A' ' 95' ' ' VAL . 2.2 mp -128.11 137.14 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.42 ' HB2' HG12 ' A' ' 94' ' ' VAL . 13.3 m-70 -125.94 118.09 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.436 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -89.15 147.68 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 1.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -177.02 173.94 46.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 1.0 109.357 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 t30 49.27 57.07 6.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 1.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.507 ' OG1' ' CG ' ' B' ' 6' ' ' HIS . 3.1 p -118.58 157.31 50.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' B' ' 8' ' ' THR . 18.5 Cg_endo -74.92 -33.73 4.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 1.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -71.58 -31.43 66.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.35 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' OG1' ' B' ' 3' ' ' THR . 25.4 m170 -75.4 -61.44 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.589 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.902 ' SD ' ' HB1' ' B' ' 73' ' ' ALA . 21.6 ptp -53.44 -39.98 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' B' ' 7' ' ' MET . 76.8 m -69.42 -43.75 72.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -57.64 -34.4 69.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.467 1.104 . . . . 1.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.8 -50.79 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.703 HG22 ' CD2' ' B' ' 101' ' ' PHE . 2.5 t -50.82 -37.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -68.77 -54.29 16.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.8 -28.25 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.314 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 25.0 t80 -72.49 -59.48 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 1.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.32 -46.34 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 1.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -63.76 1.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 1.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -42.2 -35.39 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 109.367 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.524 ' HA ' HD11 ' B' ' 26' ' ' ILE . 17.2 tp -64.4 -58.76 5.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 1.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -16.84 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 1.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.66 -33.24 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.496 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 89.02 29.51 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.066 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.616 ' O ' HD12 ' B' ' 26' ' ' ILE . 33.3 m-20 -92.63 92.71 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 1.0 109.213 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.04 -61.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -50.24 42.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -60.14 -60.12 9.18 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.449 1.093 . . . . 1.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.616 HD12 ' O ' ' B' ' 22' ' ' ASP . 30.4 mt -43.15 -40.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.56 0.8 . . . . 1.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.566 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 24.4 t -64.97 -46.96 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 1.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -66.0 -14.4 61.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -65.51 -46.46 79.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 4.1 p90 -113.46 -176.38 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 1.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.674 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.93 170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 1.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.817 ' O ' HG23 ' B' ' 48' ' ' THR . 2.5 p30 -97.55 -16.93 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.66 24.9 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.926 ' O ' HD11 ' B' ' 51' ' ' ILE . . . -68.65 158.19 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.607 HG22 ' HB2' ' B' ' 46' ' ' SER . 12.8 p -120.72 121.74 38.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 1.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.81 HG23 HG12 ' B' ' 51' ' ' ILE . 28.7 t -97.96 151.33 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.479 ' OE1' ' CA ' ' B' ' 37' ' ' GLU . 2.6 tp10 -150.15 85.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 1.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.569 ' HB3' ' HB3' ' B' ' 114' ' ' ALA . 0.0 OUTLIER -144.63 145.98 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.644 ' C ' HG22 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -74.95 -62.98 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.988 -2.505 . . . . 1.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.644 HG22 ' C ' ' B' ' 39' ' ' PRO . 0.0 OUTLIER -166.36 -175.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.403 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 102.54 3.02 50.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.087 . . . . 1.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 1.7 m 85.24 114.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 0.801 . . . . 1.0 109.958 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.6 OUTLIER 160.71 70.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 1.0 110.303 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 167.79 26.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 1.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' B' ' 54' ' ' PHE . 3.8 ptt180 -147.72 96.68 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.607 ' HB2' HG22 ' B' ' 35' ' ' THR . 8.7 p -90.56 135.82 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.37 144.79 14.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.817 HG23 ' O ' ' B' ' 32' ' ' ASP . 50.4 p -61.79 -13.49 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 1.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' B' ' 53' ' ' GLU . . . -76.16 -48.99 18.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.364 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.4 ' HB1' ' CB ' ' B' ' 45' ' ' ARG . . . -76.11 -33.61 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.926 HD11 ' O ' ' B' ' 34' ' ' ALA . 97.2 mt -67.34 -51.14 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' B' ' 48' ' ' THR . 11.2 ptm180 -71.08 -38.4 72.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 7.0 tt0 -54.76 -55.02 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.651 ' CE1' ' NH2' ' B' ' 45' ' ' ARG . 5.8 t80 -64.56 -56.01 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 1.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.746 ' O ' HD12 ' B' ' 59' ' ' LEU . 1.8 m-85 -50.6 -26.07 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.88 -67.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.19 -27.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 1.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.77 -44.92 12.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.746 HD12 ' O ' ' B' ' 55' ' ' TYR . 1.1 mt -57.31 -21.71 36.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -21.02 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' B' ' 86' ' ' PHE . 12.6 tp -99.92 109.05 54.67 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 1.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.851 HD22 ' CG2' ' B' ' 84' ' ' VAL . 0.2 OUTLIER -129.44 -176.22 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 1.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -120.52 88.14 2.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.977 HG22 ' HB ' ' B' ' 84' ' ' VAL . 92.6 t -92.34 137.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -176.96 142.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' B' ' 80' ' ' PHE . 0.2 OUTLIER -59.77 149.1 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 1.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.521 HG21 ' CG2' ' B' ' 83' ' ' THR . 14.2 t -160.58 26.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.458 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.2 OUTLIER -142.37 -96.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 110.304 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -163.18 172.51 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 1.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.905 HG22 ' CB ' ' B' ' 80' ' ' PHE . 58.2 t -127.01 112.6 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.629 ' HD2' HD12 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -86.86 81.87 8.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 1.0 110.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.902 ' HB1' ' SD ' ' B' ' 7' ' ' MET . . . -81.57 152.72 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.92 HG11 HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -171.01 -162.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -39.78 98.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' B' ' 75' ' ' ALA . 0.7 OUTLIER 36.92 47.35 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 1.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.447 ' O ' ' SD ' ' B' ' 7' ' ' MET . 16.7 mt-10 -142.97 149.96 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 1.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.06 93.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 1.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.98 96.46 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.2 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.905 ' CB ' HG22 ' B' ' 71' ' ' VAL . 35.4 p90 -114.28 161.92 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 1.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -115.56 130.37 56.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.599 ' CE1' ' OD2' ' B' ' 99' ' ' ASP . 48.1 p90 -133.05 169.41 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 1.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.521 ' CG2' HG21 ' B' ' 68' ' ' THR . 0.0 OUTLIER -106.23 170.61 7.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 1.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.977 ' HB ' HG22 ' B' ' 65' ' ' VAL . 0.1 OUTLIER -161.68 114.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.355 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.586 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 21.2 t -94.51 110.77 22.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 1.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' B' ' 86' ' ' PHE . 0.8 OUTLIER -126.74 149.22 49.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -122.18 113.34 19.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.266 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.06 139.2 53.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 1.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 48.89 50.33 17.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 1.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.24 34.53 53.72 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.5 1.125 . . . . 1.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -136.24 117.57 14.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.625 0.838 . . . . 1.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 148.96 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.677 HG22 ' CG2' ' B' ' 121' ' ' ILE . 8.4 m -156.55 147.22 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.472 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.554 HG12 ' O ' ' B' ' 94' ' ' VAL . 2.5 t -113.07 93.86 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.813 HG12 ' HD3' ' B' ' 97' ' ' PRO . 79.4 t -81.57 145.98 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 1.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 1.012 ' HB3' ' HB2' ' B' ' 120' ' ' ASN . . . -126.92 72.46 75.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.813 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.3 Cg_endo -74.99 165.45 31.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.821 . . . . 1.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.505 HG12 ' HB2' ' B' ' 81' ' ' ALA . 5.4 mt -116.39 118.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 109.358 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.599 ' OD2' ' CE1' ' B' ' 82' ' ' PHE . 0.6 OUTLIER -92.68 137.62 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -132.4 104.32 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.61 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.703 ' CD2' HG22 ' B' ' 11' ' ' VAL . 13.3 m-30 -109.15 136.63 48.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.546 ' NE ' ' CB ' ' B' ' 111' ' ' SER . 0.2 OUTLIER -120.23 132.44 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -87.89 147.06 25.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.965 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -162.66 -167.03 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 1.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.98 -151.52 51.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.571 1.169 . . . . 1.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.39 -16.1 63.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 1.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 136.41 74.26 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 1.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.486 ' HA ' ' CE2' ' B' ' 103' ' ' PHE . 0.9 OUTLIER -167.07 158.73 12.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.779 . . . . 1.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.455 HG22 ' CE1' ' B' ' 103' ' ' PHE . 4.5 t -73.81 124.58 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 1.0 109.218 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.62 HG22 ' CB ' ' B' ' 31' ' ' ALA . 97.9 t -125.38 -44.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 1.0 109.377 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . 0.546 ' CB ' ' NE ' ' B' ' 102' ' ' ARG . 3.1 m -93.71 117.97 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.624 ' SD ' HG22 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -131.11 124.52 30.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 111.063 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' B' ' 37' ' ' GLU . 1.1 ttm-85 -146.07 144.44 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 1.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.712 ' O ' HD12 ' B' ' 115' ' ' LEU . . . -114.29 177.59 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.712 HD12 ' O ' ' B' ' 114' ' ' ALA . 0.7 OUTLIER -153.17 107.48 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' B' ' 97' ' ' PRO . 5.5 m-85 -105.38 -172.89 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.79 ' O ' HD11 ' B' ' 121' ' ' ILE . . . 170.98 -173.38 44.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 1.0 111.059 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 15.2 mt-10 -115.43 53.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 1.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -147.16 23.83 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 1.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 1.012 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 0.2 OUTLIER -163.16 50.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 109.239 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.79 HD11 ' O ' ' B' ' 117' ' ' GLY . 4.0 mp -134.0 136.96 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -124.65 99.49 6.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 1.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.461 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -63.97 171.15 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.04 173.42 35.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.118 . . . . 1.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.46 0.171 . . . . 1.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 11.1 t30 63.67 79.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 1.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.609 HG23 ' CB ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -147.13 154.24 46.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.91 -29.16 8.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 4.5 mt-10 -69.46 -45.91 67.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 1.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.609 ' CB ' HG23 ' A' ' 3' ' ' THR . 2.8 t-160 -68.59 -48.55 63.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.553 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 71.1 mtm -62.08 -62.24 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 37.2 m -51.76 -41.32 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 1.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -58.02 -47.97 81.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.716 HG21 ' HZ ' ' A' ' 103' ' ' PHE . 9.5 t -57.07 -42.43 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.614 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 4.4 t -57.85 -44.26 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 1.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -62.29 -40.57 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -35.3 79.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 4.4 t80 -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.19 -49.3 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' A' ' 26' ' ' ILE . . . -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 1.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD12 HD13 ' A' ' 26' ' ' ILE . 4.2 tp -61.27 -60.71 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -56.95 -23.01 42.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 1.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.56 -34.72 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.692 ' C ' HD11 ' A' ' 59' ' ' LEU . . . 92.05 21.21 33.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 1.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.648 ' O ' HD12 ' A' ' 26' ' ' ILE . 73.2 m-20 -83.1 91.89 7.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 0.722 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -67.34 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -48.03 -43.73 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.39 1.056 . . . . 1.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.19 -57.79 17.99 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 1.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 22' ' ' ASP . 23.5 mt -51.7 -29.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -76.2 -33.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.59 58.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.146 . . . . 1.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -56.27 -47.19 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.877 ' CE1' HG21 ' A' ' 51' ' ' ILE . 12.8 p90 -106.82 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -51.4 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.954 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -105.14 -17.8 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 29.41 7.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.924 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -77.66 173.92 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.473 HG22 ' CB ' ' A' ' 46' ' ' SER . 7.5 p -120.62 118.79 31.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.733 HG21 HG23 ' A' ' 51' ' ' ILE . 65.0 t -97.52 137.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 5.0 mt-10 -120.65 61.72 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 1.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.546 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 2.8 t70 -109.91 136.76 20.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.722 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.4 Cg_endo -75.05 -36.68 2.51 Favored 'Cis proline' 0 C--N 1.361 1.231 0 C-N-CA 120.946 -2.523 . . . . 1.0 111.031 0.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 41' ' ' GLY . 1.9 t -133.85 -173.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 1.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.739 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -54.03 -18.64 9.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 1.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -58.22 85.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 1.0 110.081 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLY . 15.8 mm-40 76.86 83.0 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -74.98 -179.06 4.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 1.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.641 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 2.0 mtt180 -144.14 147.15 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.473 ' CB ' HG22 ' A' ' 35' ' ' THR . 85.6 p -137.73 141.82 41.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.76 152.32 25.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.562 1.164 . . . . 1.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.954 HG23 ' O ' ' A' ' 32' ' ' ASP . 2.3 p -63.67 -13.07 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 1.0 110.433 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.72 -65.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 1.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.641 ' HB1' ' HD3' ' A' ' 45' ' ' ARG . . . -68.84 -38.3 79.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 1.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 34' ' ' ALA . 74.6 mt -57.61 -60.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HG3' HG21 ' A' ' 27' ' ' VAL . 12.4 ttm180 -58.83 -38.65 79.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.173 . . . . 1.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.05 -49.2 69.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -73.13 -60.29 2.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 1.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.623 ' CE1' ' CG2' ' A' ' 26' ' ' ILE . 1.5 m-85 -48.3 -23.28 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 1.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -84.44 -51.53 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 1.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 1.9 m120 -62.17 -14.51 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -55.03 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 ' C ' ' A' ' 21' ' ' GLY . 1.2 tm? -59.92 -16.01 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 1.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -62.16 -17.38 57.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.685 HD23 ' CD2' ' A' ' 63' ' ' LEU . 12.4 tp -90.55 113.08 56.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 92.45 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 1.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.728 HD12 ' H ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -122.97 -175.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.42 93.83 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 1.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.757 HG22 ' HB ' ' A' ' 84' ' ' VAL . 24.7 t -89.69 141.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -160.71 143.18 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.0 110.315 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.606 HD21 ' HD1' ' A' ' 80' ' ' PHE . 3.0 mt -70.35 160.57 32.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.479 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.7 OUTLIER 178.15 49.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -161.16 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 1.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 179.63 167.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.273 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.928 HG22 ' CB ' ' A' ' 80' ' ' PHE . 99.9 t -126.64 118.5 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.837 HH21 HD21 ' B' ' 120' ' ' ASN . 0.9 OUTLIER -89.23 81.92 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 77' ' ' GLU . . . -91.17 123.29 34.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.5 ' CG2' HD23 ' B' ' 115' ' ' LEU . 0.4 OUTLIER -142.27 -146.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' ASN . . . -42.91 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ALA . 77.2 m-20 35.42 35.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 1.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.956 ' OE1' HD21 ' B' ' 115' ' ' LEU . 6.5 mt-10 -125.63 161.19 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.33 95.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 1.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -110.8 94.53 5.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.928 ' CB ' HG22 ' A' ' 71' ' ' VAL . 43.2 p90 -111.94 161.39 16.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -114.6 121.13 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.608 ' HD2' HG13 ' A' ' 65' ' ' VAL . 33.7 p90 -125.23 169.2 12.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -107.15 159.16 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.495 1.122 . . . . 1.0 110.374 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.757 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -137.51 110.15 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.578 ' HA ' HG23 ' A' ' 94' ' ' VAL . 2.0 m -92.41 119.24 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 1.2 p90 -140.86 149.35 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -114.01 118.83 35.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 1.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.508 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -93.78 -173.4 3.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 1.0 111.002 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -47.01 92.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 1.0 110.296 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 52.9 49.02 56.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 1.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -158.11 155.6 29.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 1.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 mtpm? -126.65 134.51 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 123' ' ' ALA . 1.9 m -149.84 149.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 110.472 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.578 HG23 ' HA ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -131.11 116.29 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.249 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.889 HG22 HG12 ' A' ' 121' ' ' ILE . 68.1 t -94.11 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 1.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -138.27 71.46 46.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 1.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.582 HD12 ' HG3' ' B' ' 72' ' ' ARG . 1.9 mt -116.25 121.42 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -97.56 125.6 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 18.5 t-160 -122.75 110.6 15.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -110.35 147.36 34.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.497 1.123 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.68 102.59 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 1.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.716 ' HZ ' HG21 ' A' ' 10' ' ' VAL . 3.2 m-85 -69.37 161.73 28.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 173.61 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.87 -116.81 5.47 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.509 1.13 . . . . 1.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -122.2 17.78 10.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 0.729 . . . . 1.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.54 42.97 0.52 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 1.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 161.81 42.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 1.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.71 HG22 ' CD1' ' A' ' 103' ' ' PHE . 12.9 t -85.83 118.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.557 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 71.3 t -114.8 -10.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 1.0 109.259 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.46 131.21 51.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.3 mtp -145.58 142.46 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 162.98 40.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.321 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -139.63 170.88 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.92 98.16 3.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 1.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 97' ' ' PRO . 8.7 m-85 -105.32 125.87 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -116.15 172.74 14.37 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.554 1.159 . . . . 1.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -96.15 -19.81 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 1.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -88.23 13.08 12.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 1.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.877 ' CG ' HH21 ' B' ' 72' ' ' ARG . 0.2 OUTLIER -125.1 40.17 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.889 HG12 HG22 ' A' ' 95' ' ' VAL . 8.8 mt -133.15 138.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' HB2' HG12 ' A' ' 94' ' ' VAL . 11.1 m-70 -124.3 115.0 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.585 ' HA ' HG23 ' A' ' 93' ' ' THR . . . -80.43 160.09 25.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.65 178.63 40.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 1.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.481 ' HA ' ' CD ' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 1.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.659 ' O ' HG22 ' B' ' 3' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.504 0.193 . . . . 1.0 111.047 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.938 ' OD1' ' HB2' ' B' ' 106' ' ' ALA . 15.3 m-80 -67.6 104.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.729 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -159.11 155.32 23.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 1.0 110.447 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -59.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 1.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -43.03 -35.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 1.0 110.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.729 ' HB2' HG23 ' B' ' 3' ' ' THR . 8.0 t60 -76.13 -53.63 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 109.605 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.908 ' O ' HG23 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -47.8 -43.77 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 1.0 111.097 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -71.05 -52.97 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.6 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.7 -53.21 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.288 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 7' ' ' MET . 96.5 t -46.49 -41.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 109.374 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -52.07 48.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -54.16 -34.34 60.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.4 -58.53 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 t -50.5 -49.98 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.61 -59.44 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.417 ' C ' HD11 ' B' ' 26' ' ' ILE . . . -48.78 -33.35 10.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.742 HD23 ' HB ' ' B' ' 65' ' ' VAL . 7.0 tp -65.77 -54.56 25.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -65.2 -13.63 58.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.74 4.44 53.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 1.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 23' ' ' LEU . . . 62.07 12.31 36.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.599 1.187 . . . . 1.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.657 ' O ' HD12 ' B' ' 26' ' ' ILE . 10.1 t0 -65.52 75.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -64.97 -62.88 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.208 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.62 -52.76 36.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.591 1.182 . . . . 1.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.657 HD12 ' O ' ' B' ' 22' ' ' ASP . 28.6 mt -57.82 -36.64 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 0.716 . . . . 1.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.57 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 10.9 t -69.36 -26.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 1.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.33 -18.9 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -52.39 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.916 ' CE1' HG21 ' B' ' 51' ' ' ILE . 14.9 p90 -102.91 -178.53 3.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.67 ' HB2' HG22 ' B' ' 110' ' ' VAL . . . -49.29 176.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.74 ' O ' HG23 ' B' ' 48' ' ' THR . 4.6 m-20 -105.01 -17.02 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' B' ' 33' ' ' ASP . 13.3 p-10 -119.07 23.35 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -68.24 165.38 18.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.643 HG22 ' CB ' ' B' ' 46' ' ' SER . 23.2 p -115.26 140.56 48.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 1.197 . . . . 1.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.931 HG11 ' CE2' ' B' ' 54' ' ' PHE . 2.5 t -124.21 140.44 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.495 ' OE1' ' CA ' ' B' ' 44' ' ' PRO . 7.3 tp10 -128.69 76.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.635 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -138.88 146.8 51.54 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 1.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.635 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.4 Cg_endo -74.97 -73.93 0.0 OUTLIER 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.049 -2.48 . . . . 1.0 111.04 -0.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -157.06 152.85 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 1.0 109.241 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.602 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 148.39 -54.02 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.602 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.6 m 151.44 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 1.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' B' ' 42' ' ' SER . 7.5 pt-20 42.42 86.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 1.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.495 ' CA ' ' OE1' ' B' ' 37' ' ' GLU . 18.4 Cg_endo -75.02 -167.2 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.468 1.772 . . . . 1.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.6 OUTLIER -140.72 177.66 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.63 1.206 . . . . 1.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.647 ' O ' ' HB3' ' B' ' 50' ' ' ALA . 81.3 p -179.45 159.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 1.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.47 164.96 22.72 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.454 1.096 . . . . 1.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.74 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.8 p -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 1.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.3 -48.71 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.586 1.179 . . . . 1.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' B' ' 46' ' ' SER . . . -60.48 -52.31 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.916 HG21 ' CE1' ' B' ' 30' ' ' PHE . 52.2 mt -59.43 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' B' ' 56' ' ' ALA . 18.4 ttp180 -46.43 -41.76 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 17.9 tp10 -67.02 -40.32 87.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.931 ' CE2' HG11 ' B' ' 36' ' ' VAL . 1.4 t80 -66.0 -62.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.496 ' CE2' ' CG2' ' B' ' 26' ' ' ILE . 24.2 m-85 -56.31 -56.07 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' B' ' 23' ' ' LEU . . . -51.98 -53.64 39.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 23.4 t-20 -55.24 -36.94 66.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -60.87 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -56.66 -21.15 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -44.86 -26.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.698 HD23 HD23 ' B' ' 63' ' ' LEU . 10.9 tp -85.98 139.74 34.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.08 62.64 5.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 1.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.698 HD23 HD23 ' B' ' 61' ' ' LEU . 0.2 OUTLIER -116.37 -175.85 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.03 108.53 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.742 ' HB ' HD23 ' B' ' 18' ' ' LEU . 26.7 t -81.17 143.39 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.06 150.15 33.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.422 ' O ' ' HB ' ' B' ' 68' ' ' THR . 1.3 mt -85.2 149.69 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.515 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.7 t -179.42 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.424 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' B' ' 81' ' ' ALA . 0.6 OUTLIER -155.76 -150.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.453 ' OE1' ' ND2' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 1.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.918 HG22 ' HB2' ' B' ' 80' ' ' PHE . 90.8 t -130.32 103.55 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.877 HH21 ' CG ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -75.44 83.44 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' B' ' 7' ' ' MET . . . -97.57 109.13 21.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 1.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.447 ' CG1' HG21 ' A' ' 40' ' ' VAL . 1.1 p -169.23 162.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . 54.21 50.81 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.63 32.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.923 ' HB3' ' CE1' ' B' ' 101' ' ' PHE . . . -143.71 113.28 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' B' ' 99' ' ' ASP . . . -125.94 97.88 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 1.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.918 ' HB2' HG22 ' B' ' 71' ' ' VAL . 32.0 p90 -115.73 168.03 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.486 ' CB ' HG12 ' B' ' 98' ' ' ILE . . . -122.46 126.94 48.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.589 ' CD2' HG13 ' B' ' 65' ' ' VAL . 36.1 p90 -131.15 177.23 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.515 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.3 OUTLIER -113.64 162.81 15.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' B' ' 95' ' ' VAL . 0.7 OUTLIER -138.46 125.21 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 1.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' B' ' 63' ' ' LEU . 0.3 OUTLIER -100.25 115.88 30.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.927 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 1.018 ' CE1' HG23 ' B' ' 95' ' ' VAL . 3.3 p90 -137.84 141.08 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -105.25 121.61 44.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.297 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -94.85 -173.95 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 110.984 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -46.72 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 88' ' ' TYR . . . 51.8 47.21 53.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 1.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -158.15 163.15 37.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 1.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -126.52 138.29 53.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.611 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 68.3 m -146.97 144.96 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.4 OUTLIER -128.22 116.27 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 1.018 HG23 ' CE1' ' B' ' 86' ' ' PHE . 60.5 t -96.57 165.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.499 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -136.91 71.87 55.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.515 ' CD ' HG13 ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.98 161.28 39.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 1.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.486 HG12 ' CB ' ' B' ' 81' ' ' ALA . 1.3 mt -115.09 117.59 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' B' ' 79' ' ' ALA . 1.3 m-20 -92.77 134.65 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 1.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' B' ' 78' ' ' ALA . 4.1 t-80 -146.79 117.82 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.923 ' CE1' ' HB3' ' B' ' 78' ' ' ALA . 1.3 p90 -140.8 164.68 29.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.84 ' O ' HG13 ' B' ' 109' ' ' VAL . 0.6 OUTLIER -113.53 156.86 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.23 134.38 48.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.501 ' HB2' HG23 ' B' ' 110' ' ' VAL . 1.7 t30 -88.76 130.23 35.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.438 ' C ' ' N ' ' B' ' 107' ' ' GLY . . . 45.74 30.61 3.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 1.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . 0.938 ' HB2' ' OD1' ' B' ' 2' ' ' ASN . . . 40.4 29.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.617 0.834 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' B' ' 105' ' ' GLY . . . -120.07 -36.95 0.78 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.49 1.119 . . . . 1.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -159.64 142.18 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 1.0 109.3 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.84 HG13 ' O ' ' B' ' 102' ' ' ARG . 2.6 t -69.93 132.7 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 1.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' B' ' 31' ' ' ALA . 55.4 t -127.87 4.84 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 1.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.4 t -157.22 136.72 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 1.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.851 ' HG3' HG13 ' B' ' 36' ' ' VAL . 6.3 ptp -152.15 154.05 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.585 HH21 HH21 ' B' ' 102' ' ' ARG . 13.2 ttp85 -151.56 152.03 32.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 1.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.514 ' HB3' ' HB2' ' B' ' 38' ' ' ASP . . . -127.41 155.43 43.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 1.0 109.387 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.956 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -139.03 111.97 7.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -96.01 -176.03 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.726 ' O ' HD11 ' B' ' 121' ' ' ILE . . . -156.16 175.5 33.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 1.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -103.53 -33.75 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 1.0 110.342 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -88.68 13.05 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.356 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.837 HD21 HH21 ' A' ' 72' ' ' ARG . 1.4 m-80 -113.09 32.38 5.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 1.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.726 HD11 ' O ' ' B' ' 117' ' ' GLY . 5.0 mp -131.84 137.38 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.526 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -128.51 103.15 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 109.554 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.89 168.29 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 1.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' B' ' 125' ' ' ALA . . . 170.52 174.61 38.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 1.0 109.347 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.509 ' CB ' ' CE1' ' A' ' 103' ' ' PHE . 17.6 mmm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.55 0.214 . . . . 1.0 111.028 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 0.5 OUTLIER -145.98 54.6 1.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 1.0 109.271 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.526 HG23 ' CB ' ' A' ' 6' ' ' HIS . 1.2 t -135.45 149.17 68.76 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.0 Cg_endo -75.1 -36.45 2.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 1.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.94 72.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.526 ' CB ' HG23 ' A' ' 3' ' ' THR . 2.4 t-160 -66.68 -47.06 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.396 1.06 . . . . 1.0 109.619 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.408 ' SD ' ' HB2' ' A' ' 78' ' ' ALA . 14.4 mtm -51.59 -50.7 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.446 HG23 ' HB ' ' A' ' 71' ' ' VAL . 8.4 m -61.37 -47.22 86.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -34.61 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.588 HG21 ' HE2' ' A' ' 103' ' ' PHE . 2.8 t -69.23 -40.73 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 109.359 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.795 HG22 ' HZ ' ' A' ' 101' ' ' PHE . 10.7 t -58.16 -46.8 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -62.72 -62.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 1.0 110.35 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -42.18 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.666 ' CE1' HG23 ' A' ' 26' ' ' ILE . 60.9 t80 -61.71 -56.26 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -46.03 -44.62 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.39 -59.51 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' C ' HD11 ' A' ' 26' ' ' ILE . . . -50.25 -32.09 15.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' A' ' 26' ' ' ILE . 23.5 tp -68.25 -57.25 6.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 65' ' ' VAL . 2.5 t30 -60.31 -16.58 35.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.94 26.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.94 31.99 41.64 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.452 1.095 . . . . 1.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -94.29 59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 0.83 . . . . 1.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.1 mt -40.03 -32.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -69.61 -64.04 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . -47.72 -43.44 22.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 1.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.766 HG22 ' HE2' ' A' ' 30' ' ' PHE . 46.9 mt -65.1 -40.94 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 1.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.1 t -66.97 -21.61 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 1.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.41 -21.53 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -62.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 1.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.766 ' HE2' HG22 ' A' ' 26' ' ' ILE . 27.7 p90 -91.15 -174.37 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 1.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -48.51 176.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 48' ' ' THR . 4.6 m-20 -102.75 -17.51 15.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 1.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -116.06 7.45 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 1.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.768 ' HA ' HG13 ' A' ' 110' ' ' VAL . . . -45.48 168.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 1.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.781 HG22 ' CB ' ' A' ' 46' ' ' SER . 31.1 p -130.63 125.8 34.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.801 HG23 HG12 ' A' ' 51' ' ' ILE . 46.7 t -103.21 143.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 1.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -135.32 52.86 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 1.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -114.03 139.04 23.16 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 1.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.506 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.98 -65.78 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.975 -2.51 . . . . 1.0 111.054 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.113 HG21 HG11 ' B' ' 74' ' ' VAL . 1.4 t -139.52 176.52 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 117.0 83.05 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.107 . . . . 1.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 41' ' ' GLY . 20.2 p -27.36 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 1.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.5 mt-10 159.38 71.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.05 147.17 33.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.542 1.812 . . . . 1.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.928 ' HB3' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mmt85 -98.94 120.96 40.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 1.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.781 ' CB ' HG22 ' A' ' 35' ' ' THR . 8.6 p -95.58 150.28 20.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 1.0 109.943 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 153.26 27.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 1.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 32' ' ' ASP . 30.4 p -67.75 -22.97 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 1.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -72.58 -57.89 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.928 ' HB1' ' HB3' ' A' ' 45' ' ' ARG . . . -63.23 -41.23 99.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.801 HG12 HG23 ' A' ' 36' ' ' VAL . 58.7 mt -64.94 -67.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -50.05 -31.49 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.3 mm-40 -62.4 -57.48 11.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 1.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CZ ' ' NE ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -56.63 -56.98 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 1.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.624 ' CE2' HG11 ' A' ' 36' ' ' VAL . 10.6 m-85 -58.73 -26.2 63.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.587 1.179 . . . . 1.0 111.062 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 52' ' ' ARG . . . -72.7 -55.14 7.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -52.96 -38.71 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 1.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.2 m -69.35 -56.41 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -54.71 -19.86 7.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -40.96 -29.05 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.547 1.154 . . . . 1.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.674 ' CD1' ' CD1' ' A' ' 88' ' ' TYR . 9.6 tp -96.41 135.91 22.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.91 58.55 4.86 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.488 1.783 . . . . 1.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.699 HD22 ' CE1' ' A' ' 86' ' ' PHE . 3.5 pp -80.78 -175.68 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.546 ' N ' HD12 ' A' ' 63' ' ' LEU . . . -147.15 106.44 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 63' ' ' LEU . 42.9 t -84.38 155.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 1.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' LEU . 30.5 tt0 -162.47 160.2 25.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 1.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -97.65 154.0 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.495 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 0.1 OUTLIER -159.78 -48.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.35 -98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 178.57 -178.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.902 HG22 ' CB ' ' A' ' 80' ' ' PHE . 67.1 t -122.27 144.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.427 HH11 ' ND2' ' B' ' 120' ' ' ASN . 0.0 OUTLIER -122.86 96.27 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . . . -91.49 136.67 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.529 HG12 ' H ' ' A' ' 75' ' ' ALA . 1.5 t -139.73 -146.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.529 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -48.63 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.269 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' VAL . 66.1 m-80 40.51 29.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.083 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -122.61 159.86 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -150.77 109.01 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 100' ' ' HIS . . . -122.92 111.42 16.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.077 . . . . 1.0 109.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.902 ' CB ' HG22 ' A' ' 71' ' ' VAL . 17.5 p90 -126.0 165.0 19.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 98' ' ' ILE . . . -117.36 119.96 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 97' ' ' PRO . 34.3 p90 -120.27 169.86 9.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -110.65 154.3 24.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 1.0 110.439 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.865 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -135.27 128.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 1.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.5 t -108.17 98.0 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.865 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 60.1 m-85 -82.36 159.25 23.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.655 ' H ' HD21 ' A' ' 61' ' ' LEU . 32.7 tt0 -155.74 94.72 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 1.0 110.227 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -133.51 127.66 33.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 49.54 55.83 8.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 1.0 110.267 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.53 25.5 55.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 1.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -110.8 98.42 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 1.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -94.99 119.48 33.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 1.0 109.354 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 85' ' ' SER . 4.8 m -125.35 153.62 43.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 1.0 110.369 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 94' ' ' VAL . 1.1 t -131.42 105.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 1.0 109.229 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.801 HG22 HG23 ' A' ' 121' ' ' ILE . 46.9 t -104.5 167.02 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.517 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -139.12 71.15 40.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 1.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 156.31 42.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 81' ' ' ALA . 5.3 mt -109.77 116.9 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -98.82 133.64 42.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.981 ' CE1' HD12 ' A' ' 115' ' ' LEU . 14.8 p-80 -143.66 125.42 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.648 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.795 ' HZ ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -137.52 177.13 8.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 110.992 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.4 120.6 34.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.765 ' CG ' HG22 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -92.83 123.04 35.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 103' ' ' PHE . 2.9 m-20 154.61 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.493 ' HA3' HG21 ' A' ' 110' ' ' VAL . . . 37.72 29.62 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 1.0 110.984 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' ASN . . . 41.66 28.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.749 . . . . 1.0 109.269 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -169.44 29.68 0.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 5.0 tttm 91.55 -163.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.753 . . . . 1.0 109.376 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.765 HG22 ' CG ' ' A' ' 103' ' ' PHE . 17.2 t -68.78 124.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.768 HG13 ' HA ' ' A' ' 34' ' ' ALA . 48.7 t -118.76 -78.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 1.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.22 130.07 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 1.0 109.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' GLU . 25.3 ttm -150.86 131.75 14.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 100' ' ' HIS . 10.4 ttp-105 -150.78 152.76 34.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 1.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . . . -119.6 170.55 9.08 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.981 HD12 ' CE1' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -151.39 103.21 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 1.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 0.7 OUTLIER -116.34 128.32 55.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.06 -173.12 30.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -107.03 16.13 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 1.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.81 28.51 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 109.333 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 96' ' ' ALA . 1.1 m-20 -145.87 36.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 1.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.801 HG23 HG22 ' A' ' 95' ' ' VAL . 6.1 mt -131.06 136.81 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.499 ' N ' ' CD2' ' A' ' 122' ' ' HIS . 1.0 OUTLIER -131.38 89.54 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.58 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.58 152.34 28.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.47 176.95 46.79 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.562 1.163 . . . . 1.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 1.0 109.277 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' B' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.524 0.202 . . . . 1.0 111.028 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.5 86.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.365 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.433 ' CG2' ' SD ' ' B' ' 1' ' ' MET . 10.9 p -127.47 155.32 76.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.67 6.86 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 1.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.04 -49.13 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -69.15 -45.14 70.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 1.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.926 ' HE2' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -54.62 -52.35 62.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 110.952 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -60.03 -48.29 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 1.0 110.45 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.37 -41.4 51.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.522 HG13 HD21 ' B' ' 29' ' ' LEU . 3.2 t -67.05 -42.01 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 1.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.844 HG22 ' CZ ' ' B' ' 101' ' ' PHE . 3.2 t -56.99 -45.47 83.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.6 -43.38 97.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 1.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -35.86 81.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.505 ' HA ' HD13 ' B' ' 29' ' ' LEU . 46.6 t80 -65.69 -49.6 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.49 -60.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.93 -46.92 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 1.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.454 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -59.35 -42.47 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.588 ' HA ' HD11 ' B' ' 26' ' ' ILE . 21.3 tp -58.98 -57.24 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.37 -21.8 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.3 -24.34 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.507 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 79.43 27.38 55.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.521 1.138 . . . . 1.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.55 ' O ' HD12 ' B' ' 26' ' ' ILE . 3.7 t0 -82.57 96.37 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 0.819 . . . . 1.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.457 HD21 HD12 ' B' ' 59' ' ' LEU . 13.8 mt -71.35 -72.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -48.82 -40.4 29.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -63.55 -64.19 3.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.6 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 55.0 mt -45.66 -40.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.585 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 12.6 t -64.37 -39.78 86.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 1.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -72.94 -15.9 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.522 HD21 HG13 ' B' ' 10' ' ' VAL . 4.2 tt -63.4 -44.63 94.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.806 ' CE1' HG21 ' B' ' 51' ' ' ILE . 3.3 p90 -114.53 -178.71 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 1.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -47.61 173.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.849 ' O ' HG23 ' B' ' 48' ' ' THR . 0.4 OUTLIER -102.82 -10.07 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -120.68 9.43 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' B' ' 109' ' ' VAL . . . -56.45 162.04 2.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 1.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.831 HG22 ' CB ' ' B' ' 46' ' ' SER . 62.2 p -125.52 129.14 49.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 1.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.779 HG23 HG12 ' B' ' 51' ' ' ILE . 44.6 t -105.06 145.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.465 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 8.6 tt0 -128.64 66.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 1.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' B' ' 54' ' ' PHE . 6.1 p-10 -144.91 134.65 11.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.482 ' HB2' ' H ' ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.04 -144.56 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.012 -2.495 . . . . 1.0 111.003 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.526 HG12 ' H ' ' B' ' 41' ' ' GLY . 17.3 t -103.44 171.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.526 ' H ' HG12 ' B' ' 40' ' ' VAL . . . 111.07 25.87 4.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 1.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p 69.93 178.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 1.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.2 65.14 0.46 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 1.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.652 ' CG ' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -137.27 146.64 44.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.831 ' CB ' HG22 ' B' ' 35' ' ' THR . 53.7 p -144.24 136.31 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.056 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.7 160.55 23.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 1.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.849 HG23 ' O ' ' B' ' 32' ' ' ASP . 2.6 p -67.83 -34.63 77.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 1.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.67 88.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.652 ' HB1' ' CG ' ' B' ' 45' ' ' ARG . . . -74.21 -63.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.806 HG21 ' CE1' ' B' ' 30' ' ' PHE . 84.1 mt -46.69 -38.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 48' ' ' THR . 9.3 ttt-85 -76.93 -35.43 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.43 -40.98 98.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' B' ' 38' ' ' ASP . 0.1 OUTLIER -74.99 -51.43 13.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 110.929 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.682 ' O ' HD12 ' B' ' 59' ' ' LEU . 6.9 m-85 -61.48 -25.11 67.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 1.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' B' ' 52' ' ' ARG . . . -81.34 -69.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -44.88 -29.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 44.2 m -83.77 -41.5 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.682 HD12 ' O ' ' B' ' 55' ' ' TYR . 6.0 mt -60.72 -20.17 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -48.78 -24.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.754 HD23 ' HG ' ' B' ' 63' ' ' LEU . 10.2 tp -106.58 140.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' B' ' 61' ' ' LEU . 17.8 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 1.0 110.955 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.754 ' HG ' HD23 ' B' ' 61' ' ' LEU . 13.4 mt -54.45 151.18 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.189 . . . . 1.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' B' ' 85' ' ' SER . . . -113.48 60.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.685 HG22 ' HB ' ' B' ' 84' ' ' VAL . 72.0 t -75.81 145.33 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 179.38 126.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.465 ' HA ' ' CB ' ' B' ' 82' ' ' PHE . 0.4 OUTLIER -66.37 148.29 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.498 ' CG2' ' OG1' ' B' ' 83' ' ' THR . 1.4 t -172.43 44.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 1.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.475 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 3.6 mt-30 -144.01 -95.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 1.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' B' ' 80' ' ' PHE . 63.5 mm-40 -151.01 156.41 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 1.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.938 HG22 ' HB2' ' B' ' 80' ' ' PHE . 44.4 t -129.0 99.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.908 HH21 ' N ' ' B' ' 71' ' ' VAL . 5.5 mmp_? -83.67 100.41 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 1.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.926 ' HB1' ' HE2' ' B' ' 7' ' ' MET . . . -100.66 133.75 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 1.113 HG11 HG21 ' A' ' 40' ' ' VAL . 1.3 t -145.67 -149.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.5 ' H ' HG12 ' B' ' 74' ' ' VAL . . . -45.31 91.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.1 OUTLIER 35.79 34.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 75' ' ' ALA . 1.5 mt-10 -133.08 108.39 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.95 121.44 44.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.426 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -130.65 108.04 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.938 ' HB2' HG22 ' B' ' 71' ' ' VAL . 15.0 p90 -125.38 162.36 24.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.556 ' HB2' HG12 ' B' ' 98' ' ' ILE . . . -109.88 135.67 50.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 109.37 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.63 ' CD2' HG13 ' B' ' 65' ' ' VAL . 49.0 p90 -137.85 166.09 24.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 1.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' B' ' 68' ' ' THR . 0.2 OUTLIER -103.83 160.72 14.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.43 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.709 HG13 ' HB ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -144.49 100.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 1.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.58 ' O ' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -90.97 125.8 35.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 1.0 109.957 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.649 ' HB3' HD23 ' B' ' 63' ' ' LEU . 3.7 p90 -139.35 145.34 38.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 35.0 tt0 -109.14 136.71 48.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 1.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' B' ' 89' ' ' GLN . 0.2 OUTLIER -119.88 86.62 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 110.951 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' B' ' 88' ' ' TYR . 23.7 pt20 42.43 64.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 1.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.19 -44.27 1.55 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 1.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.2 OUTLIER -61.83 143.36 56.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 1.0 110.382 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -132.62 105.14 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' B' ' 86' ' ' PHE . 51.7 m -121.69 158.97 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 1.0 110.386 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.54 HG23 ' CB ' ' B' ' 85' ' ' SER . 0.7 OUTLIER -141.06 117.22 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.746 HG22 HG12 ' B' ' 121' ' ' ILE . 21.4 t -95.06 169.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.514 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -144.22 68.83 15.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.554 ' HG2' ' CZ ' ' B' ' 82' ' ' PHE . 18.3 Cg_endo -75.01 162.71 36.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.556 HG12 ' HB2' ' B' ' 81' ' ' ALA . 39.8 mt -113.73 117.4 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 1.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 140.77 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 1.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.438 ' NE2' ' OE1' ' B' ' 77' ' ' GLU . 4.2 t-80 -151.99 113.22 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.652 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.844 ' CZ ' HG22 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -133.18 158.29 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 1.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' B' ' 76' ' ' ASN . 0.0 OUTLIER -113.72 129.96 56.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 1.017 ' CB ' HG22 ' B' ' 109' ' ' VAL . 3.1 p90 -162.75 156.71 20.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 111.041 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -105.13 121.1 43.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 1.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -37.6 -68.95 0.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.145 . . . . 1.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.47 52.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.23 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.577 ' O ' ' CB ' ' B' ' 108' ' ' LYS . . . -161.63 -84.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.599 1.187 . . . . 1.0 110.997 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' B' ' 107' ' ' GLY . 0.0 OUTLIER 157.99 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 1.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 1.017 HG22 ' CB ' ' B' ' 103' ' ' PHE . 7.5 t -106.92 125.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 1.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' B' ' 34' ' ' ALA . 59.7 t -115.62 -12.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' B' ' 113' ' ' ARG . 0.5 OUTLIER -137.7 141.05 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.041 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.434 ' HG2' HG13 ' B' ' 36' ' ' VAL . 9.1 ttm -157.38 141.32 16.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' B' ' 37' ' ' GLU . 0.4 OUTLIER -142.6 169.64 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 1.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' B' ' 38' ' ' ASP . . . -146.04 118.04 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.55 103.95 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' B' ' 116' ' ' PHE . 0.0 OUTLIER -111.76 179.32 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -161.87 178.11 37.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 1.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' B' ' 121' ' ' ILE . 19.6 mp0 -97.29 -16.62 20.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -88.99 14.18 11.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.427 ' ND2' HH11 ' A' ' 72' ' ' ARG . 0.6 OUTLIER -124.35 31.71 5.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.746 HG12 HG22 ' B' ' 95' ' ' VAL . 7.7 mt -126.28 137.13 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 109.223 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 0.3 OUTLIER -127.15 104.49 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.639 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.65 148.97 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.84 -179.53 45.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.458 1.099 . . . . 1.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.311 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.453 0.168 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' ND2' ' OD1' ' A' ' 76' ' ' ASN . 15.9 m120 -118.04 102.61 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -111.04 156.05 41.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 1.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.485 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 18.5 Cg_endo -75.0 -30.49 7.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 1.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.7 -41.78 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 1.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.76 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.7 t-160 -69.59 -48.12 61.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.547 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.64 -53.85 49.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.428 HG23 ' HB ' ' A' ' 71' ' ' VAL . 10.6 m -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -39.15 78.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 6' ' ' HIS . 74.3 t -62.96 -49.39 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.245 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.613 HG22 ' CD2' ' A' ' 101' ' ' PHE . 25.1 t -56.34 -39.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 1.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 1.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -35.49 79.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 1.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 2.7 t80 -66.18 -42.23 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.472 1.108 . . . . 1.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -58.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.64 -46.15 70.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 1.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.2 -55.79 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.0 -32.6 69.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.0 109.358 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.13 -19.64 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 1.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.29 47.33 36.87 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.532 1.145 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 2.9 t0 -98.03 90.56 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 1.0 109.371 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 27' ' ' VAL . 42.2 mt -67.46 -50.15 60.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.96 -57.09 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.41 -50.32 48.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.605 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 75.7 mt -60.48 -35.87 65.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.509 0.77 . . . . 1.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.824 HG21 ' HG2' ' A' ' 52' ' ' ARG . 40.9 t -70.88 -24.4 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -20.56 25.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.507 HD22 HG13 ' A' ' 10' ' ' VAL . 1.8 mt -53.86 -40.79 66.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.391 1.057 . . . . 1.0 109.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.3 p90 -115.77 179.88 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.637 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -48.68 175.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.656 ' O ' HG22 ' A' ' 48' ' ' THR . 1.0 OUTLIER -98.31 -18.42 18.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -115.5 13.32 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -58.71 165.82 2.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.409 1.068 . . . . 1.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.63 HG22 ' HB2' ' A' ' 46' ' ' SER . 82.5 p -120.62 143.38 48.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.549 1.156 . . . . 1.0 110.435 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.726 HG13 ' HG3' ' A' ' 112' ' ' MET . 2.5 t -125.22 140.9 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.361 1.038 . . . . 1.0 109.232 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.63 94.37 2.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.86 ' HB2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -143.24 136.93 14.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.652 ' O ' ' HA ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -75.02 -82.02 0.0 OUTLIER 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.938 -2.526 . . . . 1.0 110.992 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.497 HG22 ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -156.81 156.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 1.0 109.325 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 42' ' ' SER . . . 133.6 -44.77 1.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 1.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 1.5 m 155.91 -178.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 1.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 7.4 tt0 66.97 63.35 0.79 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.0 -169.96 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.715 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 4.9 mmp_? -143.24 155.83 44.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 1.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.63 ' HB2' HG22 ' A' ' 35' ' ' THR . 12.0 p -156.17 136.21 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 1.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 102.19 124.4 5.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 1.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -40.66 -28.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 1.0 110.354 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -63.22 -57.92 8.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 109.368 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.715 ' HB1' ' HD3' ' A' ' 45' ' ' ARG . . . -64.51 -36.92 85.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.946 HG21 ' CE1' ' A' ' 30' ' ' PHE . 36.5 mt -61.89 -36.65 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.824 ' HG2' HG21 ' A' ' 27' ' ' VAL . 13.1 mmm-85 -68.68 -60.24 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 1.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.86 -31.16 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.718 ' CE2' HG11 ' A' ' 36' ' ' VAL . 2.4 t80 -68.79 -68.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.494 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.3 m-85 -53.33 -27.89 25.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -59.8 3.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -53.38 -33.0 51.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -58.74 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 1.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -56.73 -20.86 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -21.78 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.585 HD23 HD23 ' A' ' 63' ' ' LEU . 11.7 tp -90.33 129.67 44.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 1.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.0 Cg_endo -75.0 93.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 1.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -137.67 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.29 103.22 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 1.0 109.226 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.8 t -86.15 143.84 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 1.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -163.4 135.64 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 1.0 110.363 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD21 ' HD1' ' A' ' 80' ' ' PHE . 3.8 mt -69.97 175.5 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 178.4 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.388 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' NE2' ' C ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -72.72 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 1.0 110.271 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.7 176.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.883 HG22 ' CB ' ' A' ' 80' ' ' PHE . 65.1 t -121.92 137.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.719 HH21 ' HA ' ' B' ' 97' ' ' PRO . 1.4 tpt85 -110.17 86.96 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 1.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -94.09 130.68 40.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 1.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.848 HG11 HG21 ' B' ' 40' ' ' VAL . 1.4 t -146.57 -147.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' H ' HG12 ' A' ' 74' ' ' VAL . . . -49.53 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.445 ' OD1' ' ND2' ' A' ' 2' ' ' ASN . 30.7 m-80 37.62 41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.632 ' OE1' HD21 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -134.07 156.68 47.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.801 ' HB3' ' HB2' ' A' ' 101' ' ' PHE . . . -159.56 89.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.479 1.112 . . . . 1.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.684 ' HB2' ' CD2' ' A' ' 100' ' ' HIS . . . -108.19 105.55 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 1.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.883 ' CB ' HG22 ' A' ' 71' ' ' VAL . 35.8 p90 -117.89 155.82 29.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 1.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.699 ' HB2' HG12 ' A' ' 98' ' ' ILE . . . -111.4 124.63 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 1.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CZ ' ' HG2' ' A' ' 97' ' ' PRO . 48.5 p90 -127.11 167.24 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.459 ' C ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -105.42 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 1.0 110.383 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -152.28 122.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 1.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 37.1 t -103.34 121.01 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 1.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.787 ' CE1' HG23 ' A' ' 95' ' ' VAL . 3.6 p90 -140.72 146.27 37.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.22 120.41 41.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 1.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -96.66 -173.45 2.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 1.0 111.025 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -42.98 92.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 88' ' ' TYR . . . 50.64 54.04 22.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 1.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' HG3' ' CB ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -169.36 171.12 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 1.0 110.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.02 151.91 51.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.595 ' HB ' ' CZ ' ' A' ' 86' ' ' PHE . 40.9 m -153.75 145.25 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 1.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 94' ' ' VAL . 1.9 t -123.7 104.57 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 1.0 109.242 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.787 HG23 ' CE1' ' A' ' 86' ' ' PHE . 92.7 t -93.39 148.62 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 120' ' ' ASN . . . -125.2 72.7 65.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 1.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.592 ' HD3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.02 163.57 35.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.59 1.837 . . . . 1.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.699 HG12 ' HB2' ' A' ' 81' ' ' ALA . 21.7 mt -117.8 120.33 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 1.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -92.82 131.47 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.684 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 31.7 m80 -112.1 126.72 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.801 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . 5.7 m-85 -116.88 135.01 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 1.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -123.74 108.58 12.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 1.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD2' HG22 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -83.09 157.2 22.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 111.003 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 177.37 -176.66 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . 52.42 84.5 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.43 1.081 . . . . 1.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 105' ' ' GLY . . . 70.71 -61.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 108' ' ' LYS . . . 165.43 71.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 1.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 107' ' ' GLY . 7.3 mttm -159.38 146.24 16.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 0.784 . . . . 1.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 103' ' ' PHE . 2.5 t -72.23 121.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 31' ' ' ALA . 49.2 t -120.04 0.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -152.32 139.4 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 110.054 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.726 ' HG3' HG13 ' A' ' 36' ' ' VAL . 4.6 ptp -153.3 133.16 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 1.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.402 ' NE ' HG13 ' A' ' 40' ' ' VAL . 27.7 ttt180 -132.14 131.66 42.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 1.0 110.249 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.86 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . . . -106.07 123.06 47.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 109.373 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' HG ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -107.34 134.6 50.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -95.65 -174.73 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 111.039 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.813 ' HA3' HH21 ' B' ' 72' ' ' ARG . . . -145.02 173.72 25.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 1.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -115.54 -34.0 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 1.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' NZ ' ' H ' ' B' ' 71' ' ' VAL . 18.7 pttm -102.49 15.0 30.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.472 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 53.1 m-80 -113.17 28.17 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 117' ' ' GLY . 2.7 mp -123.09 139.24 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -127.27 96.57 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.17 157.85 16.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.25 -178.42 42.42 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.413 1.07 . . . . 1.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.592 0.819 . . . . 1.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.487 0.184 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.45 ' CG ' ' ND2' ' B' ' 76' ' ' ASN . 0.1 OUTLIER -87.66 91.2 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 109.373 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.528 HG21 ' CD2' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -141.04 154.17 67.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 110.46 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -25.91 11.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 1.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.5 mt-10 -66.94 -44.83 79.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 1.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.528 ' CD2' HG21 ' B' ' 3' ' ' THR . 8.6 m170 -73.48 -47.1 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 1.0 109.541 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.664 ' HG2' ' HB2' ' B' ' 78' ' ' ALA . 0.1 OUTLIER -57.47 -57.07 14.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 1.0 111.006 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.2 m -60.18 -44.06 95.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 5' ' ' GLU . . . -58.96 -35.07 72.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 6' ' ' HIS . 2.9 t -66.21 -49.33 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' B' ' 80' ' ' PHE . 7.5 t -53.57 -43.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.66 -54.04 51.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.445 1.091 . . . . 1.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -56.51 -37.83 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.714 ' O ' HD23 ' B' ' 18' ' ' LEU . 77.3 t80 -63.79 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.643 HG13 HG12 ' B' ' 65' ' ' VAL . 2.1 t -43.96 -40.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 1.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.98 -60.23 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.683 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -56.04 -28.79 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 1.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.714 HD23 ' O ' ' B' ' 14' ' ' TYR . 4.6 mm? -67.99 -50.29 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -59.44 -32.12 69.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 1.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.03 -15.99 32.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.761 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . 61.15 42.54 99.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.1 . . . . 1.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.835 ' O ' HD12 ' B' ' 26' ' ' ILE . 4.9 t0 -78.67 119.85 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.904 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.5 OUTLIER -74.57 -75.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.21 -27.93 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -66.96 -67.23 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 1.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.956 HG21 ' CE2' ' B' ' 55' ' ' TYR . 15.7 mt -51.1 -33.03 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 1.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 23' ' ' LEU . 21.7 t -73.98 -31.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -81.94 -13.83 56.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' B' ' 14' ' ' TYR . 0.3 OUTLIER -62.71 -44.72 95.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' B' ' 26' ' ' ILE . 2.0 p90 -114.0 -177.09 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -45.19 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 109.355 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 1.0 ' O ' HG23 ' B' ' 48' ' ' THR . 0.1 OUTLIER -94.26 -16.13 23.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.61 12.44 17.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.17 178.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.708 HG22 ' HB2' ' B' ' 46' ' ' SER . 10.7 p -136.91 133.56 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.798 HG23 HG12 ' B' ' 51' ' ' ILE . 41.8 t -101.92 144.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' B' ' 113' ' ' ARG . 6.2 tp10 -144.2 81.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.569 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -150.05 146.45 20.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.569 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.3 Cg_endo -75.1 -68.61 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.987 -2.505 . . . . 1.0 110.987 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.848 HG21 HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.04 -177.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 1.0 109.221 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.25 5.44 21.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 1.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.99 91.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 0.79 . . . . 1.0 110.072 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 179.93 65.49 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 1.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.95 39.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 1.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.631 ' HB2' ' HB1' ' B' ' 50' ' ' ALA . 0.0 OUTLIER -138.5 125.64 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 1.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.708 ' HB2' HG22 ' B' ' 35' ' ' THR . 19.8 p -109.74 147.34 33.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.47 141.7 11.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 1.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 1.0 HG23 ' O ' ' B' ' 32' ' ' ASP . 1.9 p -59.49 -20.54 56.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.521 0.777 . . . . 1.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.81 -56.14 7.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' B' ' 45' ' ' ARG . . . -63.85 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.798 HG12 HG23 ' B' ' 36' ' ' VAL . 82.1 mt -65.9 -41.61 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 1.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.89 ' O ' HD11 ' B' ' 23' ' ' LEU . 9.1 mtt85 -64.36 -54.12 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 1.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.84 -29.05 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 1.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.645 ' CE2' HG11 ' B' ' 36' ' ' VAL . 48.8 t80 -70.03 -69.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 1.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.956 ' CE2' HG21 ' B' ' 26' ' ' ILE . 32.1 m-85 -58.85 -23.99 61.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.447 1.092 . . . . 1.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.866 ' HA ' HD21 ' B' ' 23' ' ' LEU . . . -69.33 -59.15 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.454 ' ND2' ' N ' ' B' ' 58' ' ' SER . 0.9 OUTLIER -60.86 -36.97 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 1.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.454 ' N ' ' ND2' ' B' ' 57' ' ' ASN . 6.8 t -66.6 -69.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 1.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.761 HD22 ' HA2' ' B' ' 21' ' ' GLY . 17.4 mt -53.26 -20.03 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -39.14 -30.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 1.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.537 HD12 ' HD2' ' B' ' 62' ' ' PRO . 11.0 tp -88.15 139.89 30.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.4 Cg_endo -75.01 83.88 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.76 . . . . 1.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -115.59 176.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.91 105.23 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 1.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.643 HG12 HG13 ' B' ' 15' ' ' VAL . 4.6 t -79.73 140.68 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -163.66 115.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 1.048 HD12 ' N ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -73.98 146.9 43.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 1.048 ' N ' HD12 ' B' ' 67' ' ' LEU . 0.1 OUTLIER -138.54 -43.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.485 ' NE2' ' C ' ' B' ' 81' ' ' ALA . 0.9 OUTLIER -57.56 -104.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.224 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.9 -178.77 6.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.513 1.133 . . . . 1.0 110.331 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.847 HG13 ' HB3' ' B' ' 80' ' ' PHE . 32.7 t -122.86 127.87 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.813 HH21 ' HA3' ' A' ' 117' ' ' GLY . 1.6 ttm180 -102.25 76.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.843 ' O ' HG23 ' B' ' 74' ' ' VAL . . . -86.94 111.5 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 73' ' ' ALA . 2.9 t -164.81 150.12 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' B' ' 77' ' ' GLU . . . 51.73 63.08 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.248 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.45 ' ND2' ' CG ' ' B' ' 2' ' ' ASN . 3.1 m-20 41.14 28.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' B' ' 100' ' ' HIS . 2.4 tt0 -124.27 164.3 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.664 ' HB2' ' HG2' ' B' ' 7' ' ' MET . . . -149.36 91.84 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.968 ' HB2' ' CD2' ' B' ' 100' ' ' HIS . . . -103.05 93.2 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.847 ' HB3' HG13 ' B' ' 71' ' ' VAL . 23.9 p90 -111.1 150.61 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.485 ' C ' ' NE2' ' B' ' 69' ' ' GLN . . . -110.25 125.43 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.616 ' CD1' ' CE2' ' B' ' 80' ' ' PHE . 37.9 p90 -131.26 167.59 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 1.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' B' ' 95' ' ' VAL . 0.2 OUTLIER -106.73 152.69 23.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 110.407 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' B' ' 84' ' ' VAL . 0.7 OUTLIER -126.45 116.12 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 1.0 109.228 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.423 ' HA ' HG23 ' B' ' 94' ' ' VAL . 9.9 t -91.79 118.41 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 1.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.718 ' CE1' HG23 ' B' ' 95' ' ' VAL . 0.9 OUTLIER -161.36 146.14 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 1.0 111.058 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -110.6 134.68 52.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' B' ' 90' ' ' GLY . 0.1 OUTLIER -108.89 171.19 7.58 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.534 1.146 . . . . 1.0 110.966 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.91 75.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 1.0 110.291 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.499 ' O ' ' CD ' ' B' ' 91' ' ' ARG . . . 168.7 -30.76 0.17 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.584 1.177 . . . . 1.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' B' ' 90' ' ' GLY . 0.0 OUTLIER 162.85 178.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 1.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' B' ' 125' ' ' ALA . 29.5 tttt -75.69 154.19 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.605 HG22 ' CG2' ' B' ' 121' ' ' ILE . 3.0 m -153.44 149.35 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' B' ' 94' ' ' VAL . 0.5 OUTLIER -134.9 116.99 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 1.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.718 HG23 ' CE1' ' B' ' 86' ' ' PHE . 17.6 t -96.14 168.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.492 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -142.41 67.42 20.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.719 ' HA ' HH21 ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.04 162.92 36.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 1.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' B' ' 81' ' ' ALA . 7.0 mt -116.9 116.05 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.572 ' CB ' ' CE1' ' B' ' 80' ' ' PHE . 0.4 OUTLIER -90.54 135.03 33.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.968 ' CD2' ' HB2' ' B' ' 79' ' ' ALA . 4.7 t-160 -123.97 103.26 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.553 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.662 ' HB2' ' HB3' ' B' ' 78' ' ' ALA . 17.9 m-85 -91.63 149.39 21.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 1.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -134.21 111.24 10.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.757 ' CD1' HG22 ' B' ' 109' ' ' VAL . 3.5 m-30 -68.13 159.39 31.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -151.5 170.75 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.07 -59.93 0.78 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.421 1.076 . . . . 1.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -175.86 -39.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.743 . . . . 1.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -164.78 29.26 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 1.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -121.04 118.23 29.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 1.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.757 HG22 ' CD1' ' B' ' 103' ' ' PHE . 3.4 t -67.8 116.58 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.466 ' HA ' ' HB2' ' B' ' 34' ' ' ALA . 70.0 t -114.71 -20.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 1.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -126.8 127.32 44.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.082 . . . . 1.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.539 ' SD ' HG22 ' B' ' 36' ' ' VAL . 2.1 ptt? -144.78 130.01 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 1.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' B' ' 37' ' ' GLU . 0.0 OUTLIER -134.51 178.06 7.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 1.0 110.293 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.51 ' CB ' ' OD2' ' B' ' 38' ' ' ASP . . . -139.52 172.52 12.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 1.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.632 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -153.6 104.08 2.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -119.43 -178.56 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.508 ' N ' HH12 ' A' ' 72' ' ' ARG . . . -163.89 176.32 39.94 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 3.8 tp10 -91.59 11.59 23.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 1.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -118.35 16.99 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 1.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.504 ' CG ' ' CZ ' ' A' ' 72' ' ' ARG . 3.2 m120 -131.46 39.06 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.605 ' CG2' HG22 ' B' ' 93' ' ' THR . 2.5 mt -131.63 149.92 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 1.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.431 ' HB2' HG12 ' B' ' 94' ' ' VAL . 5.2 m-70 -141.41 111.65 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 1.0 109.662 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.1 164.98 23.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 1.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.36 175.89 43.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 1.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 1.0 109.346 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.419 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 11.5 mmt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.497 0.189 . . . . 1.0 111.027 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 173.66 83.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.59 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -130.0 154.68 81.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.406 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.96 7.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.471 1.774 . . . . 1.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -67.85 -44.31 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.59 ' HB2' HG23 ' A' ' 3' ' ' THR . 14.2 t60 -70.44 -46.14 64.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 1.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.636 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 52.4 mtm -61.17 -61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 HG11 ' A' ' 71' ' ' VAL . 10.1 m -55.06 -40.15 69.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -57.2 -45.55 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.94 -47.11 92.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.715 HG13 ' CE1' ' A' ' 80' ' ' PHE . 2.9 t -56.24 -47.11 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -55.6 32.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 1.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -52.45 -40.26 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.362 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -66.59 -45.16 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 110.985 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 67' ' ' LEU . 15.7 t -56.34 -51.49 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 1.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -61.93 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 1.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -43.01 -39.04 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -61.72 -57.02 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.8 -16.47 28.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 1.0 109.254 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -27.13 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.265 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . 76.71 45.46 13.0 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.535 ' O ' HD12 ' A' ' 26' ' ' ILE . 78.3 m-20 -92.65 106.2 18.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 0.729 . . . . 1.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.7 mt -77.83 -67.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.34 -35.11 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 1.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -71.16 -68.91 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 1.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.585 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 78.3 mt -42.44 -38.16 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -68.25 -46.73 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -64.37 -15.24 60.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 1.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -54.47 28.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 1.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CE1' HG21 ' A' ' 51' ' ' ILE . 18.3 p90 -105.06 -176.11 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.728 ' HB2' HG22 ' A' ' 110' ' ' VAL . . . -49.34 176.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.848 ' O ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -103.89 -12.99 16.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 1.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.84 12.62 12.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.823 ' O ' HD11 ' A' ' 51' ' ' ILE . . . -59.05 170.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 46' ' ' SER . 4.8 p -120.87 120.44 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 1.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.741 HG21 HG23 ' A' ' 51' ' ' ILE . 95.0 t -97.02 137.64 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -136.15 63.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -107.52 132.34 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.06 -52.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.02 -2.492 . . . . 1.0 111.005 0.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.984 HG21 HG11 ' B' ' 74' ' ' VAL . 2.5 t -114.51 -173.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.836 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -51.2 -20.12 4.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 23.7 t -53.32 88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 1.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER 81.83 77.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 1.0 110.256 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' NE ' ' A' ' 45' ' ' ARG . 18.0 Cg_endo -75.09 174.29 13.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 1.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.782 ' CD ' ' HB1' ' A' ' 50' ' ' ALA . 4.1 mmt85 -150.58 148.37 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 35' ' ' THR . 33.0 p -142.36 139.77 31.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 109.956 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 153.1 25.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 32' ' ' ASP . 33.3 p -63.72 -11.94 30.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 1.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.78 -65.16 0.83 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.782 ' HB1' ' CD ' ' A' ' 45' ' ' ARG . . . -69.99 -36.09 74.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.823 HD11 ' O ' ' A' ' 34' ' ' ALA . 92.9 mt -60.37 -52.3 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -65.12 -61.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 14.4 tt0 -46.1 -42.33 13.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 34.8 t80 -59.84 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.47 -18.61 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 1.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 53' ' ' GLU . . . -74.7 -67.63 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.224 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -51.96 -33.95 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 1.0 109.396 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.495 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -69.21 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 1.0 110.001 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 61' ' ' LEU . 19.3 mt -54.32 -19.99 6.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.12 . . . . 1.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -40.51 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 88' ' ' TYR . 6.1 tp -91.12 127.34 51.84 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 1.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 1.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.5 pp -74.18 -175.71 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.74 103.69 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.28 153.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -169.55 131.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.514 HD12 HG21 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -70.07 154.21 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.534 HG22 ' OG1' ' A' ' 83' ' ' THR . 1.9 t -167.95 29.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 1.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.517 ' NE2' ' CB ' ' A' ' 81' ' ' ALA . 7.5 mt-30 -143.19 -100.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 2.8 mm-40 -158.88 167.04 30.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.909 HG22 ' HB2' ' A' ' 80' ' ' PHE . 89.1 t -126.93 105.48 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.0 109.208 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' A' ' 78' ' ' ALA . 15.4 mmt-85 -77.26 151.77 34.94 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.544 1.152 . . . . 1.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.636 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -158.26 124.59 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.708 HG12 ' H ' ' A' ' 75' ' ' ALA . 11.5 t -152.85 -132.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.757 ' CB ' HG12 ' B' ' 40' ' ' VAL . . . -36.79 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.597 ' C ' ' O ' ' A' ' 75' ' ' ALA . 1.4 m-20 22.96 50.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.744 ' CD ' HD21 ' B' ' 115' ' ' LEU . 31.8 tt0 -152.47 159.18 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 72' ' ' ARG . . . -145.19 125.05 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 99' ' ' ASP . . . -126.62 106.37 9.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.909 ' HB2' HG22 ' A' ' 71' ' ' VAL . 24.4 p90 -118.96 156.17 30.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' CB ' ' NE2' ' A' ' 69' ' ' GLN . . . -113.18 131.97 55.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.418 1.074 . . . . 1.0 109.396 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 80' ' ' PHE . 36.5 p90 -139.03 174.61 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.534 ' OG1' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -108.79 161.25 15.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 1.0 110.374 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.783 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -142.95 125.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 93' ' ' THR . 4.3 t -106.66 104.01 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 110.01 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 66.7 m-85 -88.11 160.59 17.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' H ' HD21 ' A' ' 61' ' ' LEU . 43.7 tt0 -154.92 93.95 1.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 1.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.718 ' HB3' HD11 ' A' ' 61' ' ' LEU . 2.7 p90 -131.55 127.84 38.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 48.42 57.58 6.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.185 . . . . 1.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.66 27.52 49.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 1.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 88' ' ' TYR . 1.8 tpt180 -113.32 99.93 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 1.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -95.08 122.24 37.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 85' ' ' SER . 3.8 m -126.44 159.05 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 1.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -137.07 106.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.666 HG22 HG12 ' A' ' 121' ' ' ILE . 41.7 t -106.07 166.45 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -138.47 69.98 46.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.534 ' CD ' HG13 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 167.09 27.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 1.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.58 HD12 ' HG3' ' B' ' 72' ' ' ARG . 89.3 mt -119.99 115.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 1.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.654 ' CB ' ' CE1' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -86.6 142.57 28.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.537 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.1 OUTLIER -142.48 112.23 6.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 1.0 109.54 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -105.13 135.07 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.06 111.06 19.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.936 ' CD1' HG22 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.04 141.66 58.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 111.033 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 110' ' ' VAL . 1.6 t30 -106.72 134.68 49.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 107' ' ' GLY . . . 45.51 29.43 2.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 1.0 111.011 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.55 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . . . 40.13 29.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 1.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' GLY . . . -119.76 -36.64 0.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 1.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -162.86 148.13 11.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 1.0 109.363 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.936 HG22 ' CD1' ' A' ' 103' ' ' PHE . 3.4 t -73.18 121.69 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.728 HG22 ' HB2' ' A' ' 31' ' ' ALA . 46.1 t -121.49 -2.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 1.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.68 128.79 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.584 ' CE ' ' CE2' ' A' ' 30' ' ' PHE . 4.0 ptm -152.0 126.89 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -150.09 167.5 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 110.302 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -125.96 177.91 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.908 HD22 ' HB2' ' B' ' 79' ' ' ALA . 0.8 OUTLIER -154.98 116.2 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.649 ' CE1' HG21 ' B' ' 74' ' ' VAL . 9.5 p90 -124.55 -172.48 2.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 1.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.71 173.95 39.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.555 1.159 . . . . 1.0 111.023 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.4 20.84 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 1.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -126.12 14.88 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -140.91 39.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 95' ' ' VAL . 10.2 mt -135.43 137.17 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -134.15 91.35 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 1.0 109.647 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.37 151.62 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.407 1.067 . . . . 1.0 109.289 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 125' ' ' ALA . . . 177.14 177.87 46.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.445 1.091 . . . . 1.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 124' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 1.0 109.235 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.498 0.19 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 63.7 136.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.612 HG23 ' HB2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -163.91 154.72 13.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 110.397 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -30.86 6.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 1.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 8.8 mm-40 -67.99 -46.19 72.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.0 110.344 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.644 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.2 t60 -69.51 -43.21 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.447 ' CE ' ' HB1' ' B' ' 73' ' ' ALA . 52.9 mtm -62.82 -62.85 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.727 HG23 ' HB ' ' B' ' 71' ' ' VAL . 7.9 m -54.23 -39.25 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 5' ' ' GLU . . . -66.49 -36.2 82.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 1.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 6' ' ' HIS . 3.0 t -64.27 -39.67 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.593 ' O ' HG23 ' B' ' 15' ' ' VAL . 18.4 t -67.81 -44.21 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.85 -51.01 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -60.86 -37.31 81.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 110.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.492 ' HA ' HD13 ' B' ' 29' ' ' LEU . 13.0 t80 -65.17 -46.67 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 11' ' ' VAL . 72.0 t -58.03 -60.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.49 45.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 1.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' B' ' 26' ' ' ILE . . . -52.99 -42.03 65.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.51 ' HA ' HD11 ' B' ' 26' ' ' ILE . 16.3 tp -56.06 -53.56 55.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -63.47 -21.8 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.278 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.19 56.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 1.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.86 28.79 73.94 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.425 1.078 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.53 ' O ' HD12 ' B' ' 26' ' ' ILE . 9.6 t0 -86.56 85.86 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 0.73 . . . . 1.0 109.378 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.593 HD21 HD12 ' B' ' 59' ' ' LEU . 20.9 mt -68.92 -47.21 66.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.07 . . . . 1.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.88 -57.46 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 1.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' B' ' 28' ' ' ALA . . . -59.94 -59.49 10.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' B' ' 30' ' ' PHE . 56.9 mt -41.95 -38.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.587 ' HA ' ' CE1' ' B' ' 30' ' ' PHE . 4.8 t -67.51 -49.61 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 1.0 109.396 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 25' ' ' GLY . . . -63.63 -12.9 37.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 1.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.61 ' CD2' HG13 ' B' ' 10' ' ' VAL . 0.3 OUTLIER -63.05 -43.32 98.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 1.067 ' CE1' HG21 ' B' ' 51' ' ' ILE . 1.0 OUTLIER -117.06 -177.49 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 1.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -49.63 166.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.6 ' O ' HG22 ' B' ' 48' ' ' THR . 2.8 m-20 -87.23 -22.24 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -111.26 4.83 19.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.96 ' HB1' ' HE1' ' B' ' 112' ' ' MET . . . -41.05 150.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.617 HG22 ' HB2' ' B' ' 46' ' ' SER . 18.7 p -116.52 109.56 17.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 1.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.846 HG22 ' SD ' ' B' ' 112' ' ' MET . 46.3 t -91.86 137.16 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -124.36 71.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 1.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.587 ' HA ' ' O ' ' B' ' 39' ' ' PRO . 0.1 OUTLIER -134.06 142.24 42.55 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 1.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.587 ' O ' ' HA ' ' B' ' 38' ' ' ASP . 18.6 Cg_endo -74.94 -70.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.03 -2.488 . . . . 1.0 111.03 -0.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.757 HG12 ' CB ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -154.3 150.93 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 155.29 -59.01 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 1.9 m 150.08 -178.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 0.79 . . . . 1.0 110.043 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 49.11 88.99 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 1.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 143.99 30.12 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 1.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.604 ' HB3' ' HB1' ' B' ' 50' ' ' ALA . 0.1 OUTLIER -79.45 100.56 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 1.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.617 ' HB2' HG22 ' B' ' 35' ' ' THR . 7.3 p -96.82 123.83 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 1.0 109.945 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 50' ' ' ALA . . . 119.39 123.77 3.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.6 HG22 ' O ' ' B' ' 32' ' ' ASP . 0.1 OUTLIER -41.94 -27.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 1.0 110.412 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' B' ' 47' ' ' GLY . . . -68.62 -48.7 63.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' B' ' 45' ' ' ARG . . . -68.64 -39.65 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 1.067 HG21 ' CE1' ' B' ' 30' ' ' PHE . 81.8 mt -59.04 -59.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.424 ' HB2' HG21 ' B' ' 27' ' ' VAL . 3.4 tmm_? -64.11 -28.77 70.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -57.39 -58.18 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.516 ' CD2' ' NH2' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -65.92 -44.46 85.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 1.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.542 ' O ' HD12 ' B' ' 59' ' ' LEU . 5.4 m-85 -58.08 -31.28 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' B' ' 59' ' ' LEU . . . -79.15 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -45.02 -27.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 56' ' ' ALA . 3.1 t -87.8 -38.76 15.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 1.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.593 HD12 HD21 ' B' ' 23' ' ' LEU . 0.3 OUTLIER -61.08 -21.74 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 1.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -23.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.533 HD12 ' HD2' ' B' ' 62' ' ' PRO . 10.0 tp -104.35 140.41 21.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' B' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 57.9 4.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 1.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.685 ' CD2' HG23 ' B' ' 84' ' ' VAL . 2.8 mt -53.54 156.5 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' B' ' 85' ' ' SER . . . -127.53 66.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.72 HG13 ' CD2' ' B' ' 82' ' ' PHE . 72.1 t -76.66 143.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 83' ' ' THR . 7.1 pt-20 -168.23 135.16 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.707 HD23 ' O ' ' B' ' 81' ' ' ALA . 0.6 OUTLIER -67.43 141.35 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.586 HG23 ' NE2' ' B' ' 69' ' ' GLN . 0.9 OUTLIER -131.64 7.84 4.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 1.0 110.376 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.776 ' HG3' ' HB3' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -141.57 -83.5 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.167 . . . . 1.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.638 ' CB ' HH21 ' B' ' 72' ' ' ARG . 0.5 OUTLIER 171.2 -173.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 1.0 110.24 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.933 HG22 ' CB ' ' B' ' 80' ' ' PHE . 79.3 t -113.82 140.34 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.638 HH21 ' CB ' ' B' ' 70' ' ' GLU . 3.0 mmt85 -107.39 81.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.235 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.447 ' HB1' ' CE ' ' B' ' 7' ' ' MET . . . -83.46 153.46 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 40' ' ' VAL . 2.3 p -175.51 -148.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.802 ' N ' HG13 ' B' ' 74' ' ' VAL . . . -38.67 93.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 1.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' B' ' 74' ' ' VAL . 0.6 OUTLIER 31.97 41.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.573 ' HG2' ' CE1' ' B' ' 100' ' ' HIS . 1.1 tt0 -135.36 159.49 41.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' B' ' 101' ' ' PHE . . . -150.6 88.57 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.908 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -100.23 93.61 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.933 ' CB ' HG22 ' B' ' 71' ' ' VAL . 43.2 p90 -108.99 156.8 19.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.776 ' HB3' ' HG3' ' B' ' 69' ' ' GLN . . . -118.34 136.89 53.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.72 ' CD2' HG13 ' B' ' 65' ' ' VAL . 45.9 p90 -145.71 168.92 19.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.397 1.06 . . . . 1.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.552 HG23 HG21 ' B' ' 68' ' ' THR . 0.1 OUTLIER -105.07 163.04 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 110.379 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.685 HG23 ' CD2' ' B' ' 63' ' ' LEU . 0.4 OUTLIER -142.52 101.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.0 109.336 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.452 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.1 OUTLIER -95.21 125.04 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' B' ' 86' ' ' PHE . 3.5 p90 -144.72 137.81 26.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 111.034 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' B' ' 91' ' ' ARG . 22.7 tt0 -96.21 116.78 29.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -141.13 141.07 34.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 56.67 50.22 13.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 1.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.35 21.24 12.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 1.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.1 OUTLIER -125.28 166.47 16.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 1.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.931 ' HB2' ' HB3' ' B' ' 125' ' ' ALA . 23.3 mtmm -127.94 106.2 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.547 HG23 ' HA ' ' B' ' 123' ' ' ALA . 5.2 m -104.79 145.84 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.447 ' O ' HG13 ' B' ' 94' ' ' VAL . 1.7 p -130.74 116.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 1.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.965 HG22 HG23 ' B' ' 121' ' ' ILE . 46.7 t -103.31 167.27 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.515 ' N ' HG12 ' B' ' 95' ' ' VAL . . . -138.68 70.49 44.36 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.548 ' CD ' ' CG1' ' B' ' 84' ' ' VAL . 18.3 Cg_endo -74.97 162.28 37.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 1.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 7.5 mt -123.84 123.49 67.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.1 OUTLIER -101.56 140.52 35.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -131.58 99.51 4.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.457 1.098 . . . . 1.0 109.59 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.473 ' HB2' ' HB3' ' B' ' 78' ' ' ALA . 12.6 m-85 -88.02 144.91 26.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 1.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -126.1 129.55 49.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 1.0 110.328 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.594 ' CE2' ' CG2' ' B' ' 109' ' ' VAL . 10.6 m-85 -105.31 146.51 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' B' ' 106' ' ' ALA . 19.1 p-10 -160.52 -164.34 1.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 1.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.83 -75.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.156 . . . . 1.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' B' ' 104' ' ' ASN . . . -145.91 19.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 1.0 109.298 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.6 39.68 3.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 1.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 143.57 48.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.594 ' CG2' ' CE2' ' B' ' 103' ' ' PHE . 18.9 t -77.59 116.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 1.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.509 ' C ' ' CE ' ' B' ' 112' ' ' MET . 59.5 t -127.93 2.2 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.115 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . 0.515 ' N ' ' CE ' ' B' ' 112' ' ' MET . 0.4 OUTLIER -144.5 116.08 8.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 1.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.96 ' HE1' ' HB1' ' B' ' 34' ' ' ALA . 0.0 OUTLIER -128.03 125.18 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 1.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -124.26 120.7 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.367 1.042 . . . . 1.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -116.73 151.11 37.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.744 HD21 ' CD ' ' A' ' 77' ' ' GLU . 5.3 mp -134.27 124.82 26.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' B' ' 116' ' ' PHE . 0.1 OUTLIER -143.45 154.34 43.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 1.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.636 ' HA2' HD11 ' B' ' 121' ' ' ILE . . . 90.57 171.96 44.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER 72.29 61.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 1.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER 90.22 -20.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 1.0 109.353 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.502 HD21 ' NE ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -69.27 -14.16 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 1.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.965 HG23 HG22 ' B' ' 95' ' ' VAL . 0.4 OUTLIER -92.9 140.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 1.0 109.202 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.405 ' HB2' ' CG1' ' B' ' 94' ' ' VAL . 62.7 m-70 -135.61 88.63 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 109.586 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.547 ' HA ' HG23 ' B' ' 93' ' ' THR . . . -58.67 147.12 33.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' B' ' 92' ' ' LYS . . . -163.31 173.59 39.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 1.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.931 ' HB3' ' HB2' ' B' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.479 0.18 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -49.98 178.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 1.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.663 HG23 ' HB2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -147.99 154.96 43.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.04 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.89 -40.3 96.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.663 ' HB2' HG23 ' A' ' 3' ' ' THR . 4.4 t-160 -72.95 -47.99 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.622 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.751 ' HE3' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -54.05 -52.37 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 1.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -61.88 -50.61 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 1.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.98 -35.03 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.505 HG13 HD21 ' A' ' 29' ' ' LEU . 3.8 t -65.91 -51.6 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' A' ' 80' ' ' PHE . 2.9 t -49.35 -49.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -43.91 98.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -59.14 -37.95 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 1.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.9 -52.44 36.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 1.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.15 -52.14 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 18' ' ' LEU . . . -60.81 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.603 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -42.44 -31.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' ALA . 14.1 tp -68.91 -59.34 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.65 -17.15 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.36 -32.42 24.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.75 32.58 23.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 1.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.675 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.9 m-20 -84.38 94.72 8.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 1.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 mt -71.85 -56.9 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -62.43 -41.43 98.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . . . -63.42 -63.51 4.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 22' ' ' ASP . 46.8 mt -47.42 -38.06 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 1.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 23' ' ' LEU . 55.7 t -67.18 -37.91 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . -74.05 -17.17 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 1.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD21 HG13 ' A' ' 10' ' ' VAL . 6.9 tt -60.47 -46.81 88.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 26' ' ' ILE . 6.9 p90 -112.49 -176.37 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.664 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -50.54 179.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 1.028 ' O ' HG23 ' A' ' 48' ' ' THR . 4.1 m-20 -104.34 -18.5 14.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.35 32.78 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.664 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . . . -75.73 161.42 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.856 HG22 ' HB3' ' A' ' 46' ' ' SER . 39.2 p -106.24 126.06 51.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 1.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 51' ' ' ILE . 60.8 t -100.07 137.36 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 113' ' ' ARG . 15.1 mt-10 -132.7 68.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.484 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -115.38 137.58 23.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.01 -44.39 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.014 -2.494 . . . . 1.0 110.941 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.094 ' CG2' HG11 ' B' ' 74' ' ' VAL . 2.4 t -117.44 -174.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 1.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.792 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -51.26 -20.63 5.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.138 . . . . 1.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -41.23 109.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 1.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 41.53 83.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 110.306 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -176.47 2.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 1.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -162.24 -178.52 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 1.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.856 ' HB3' HG22 ' A' ' 35' ' ' THR . 47.7 p -173.21 159.01 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 49' ' ' ALA . . . 100.06 122.45 4.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.028 HG23 ' O ' ' A' ' 32' ' ' ASP . 28.7 p -41.7 -27.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 1.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 47' ' ' GLY . . . -59.76 -62.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -63.32 -49.19 74.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 1.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.557 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 6.1 mt -49.61 -36.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -71.52 -71.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.85 -31.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 1.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.51 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 4.1 m-85 -70.82 -62.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.791 ' O ' HD12 ' A' ' 59' ' ' LEU . 9.4 m-85 -60.99 -14.23 21.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.63 -67.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' PHE . 6.8 p-10 -56.71 -21.53 28.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.0 m -82.63 -47.56 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 55' ' ' TYR . 9.1 mt -63.11 -22.25 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.37 -21.35 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 62' ' ' PRO . 10.5 tp -99.13 139.92 21.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.534 ' HD2' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 55.34 3.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 1.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.892 HD21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -81.08 138.56 35.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.853 ' N ' HD22 ' A' ' 63' ' ' LEU . . . -118.29 99.13 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.892 HG23 HD21 ' A' ' 63' ' ' LEU . 3.7 t -98.1 141.01 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -163.65 134.01 4.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 1.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' A' ' 82' ' ' PHE . 1.6 pp -71.07 141.65 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.486 ' CG2' ' OG1' ' A' ' 83' ' ' THR . 1.7 t -164.01 42.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -143.25 -59.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 1.0 110.259 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.823 ' HB3' HH21 ' A' ' 72' ' ' ARG . 0.7 OUTLIER 161.61 160.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.285 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.919 HG22 ' HB2' ' A' ' 80' ' ' PHE . 61.9 t -129.82 116.67 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.823 HH21 ' HB3' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -103.25 107.15 17.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.751 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -100.43 126.56 46.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.51 HG22 ' CA ' ' B' ' 117' ' ' GLY . 0.9 OUTLIER -128.19 -146.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -49.59 97.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 39.51 30.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.538 ' OE1' HD21 ' B' ' 115' ' ' LEU . 6.6 mt-10 -123.88 157.76 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB2' ' HG2' ' A' ' 7' ' ' MET . . . -152.32 101.14 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 99' ' ' ASP . . . -111.65 105.68 14.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.919 ' HB2' HG22 ' A' ' 71' ' ' VAL . 38.4 p90 -121.07 161.75 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.484 ' C ' ' NE2' ' A' ' 69' ' ' GLN . . . -114.53 130.79 56.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.675 ' CD2' HG13 ' A' ' 65' ' ' VAL . 51.2 p90 -136.7 167.78 20.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.486 ' OG1' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -102.6 158.77 16.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.413 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.683 ' HB ' HG22 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -140.3 105.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 t -97.18 132.74 42.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 109.952 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 7.5 p90 -156.84 147.7 21.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -105.14 119.19 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.57 145.56 36.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 48.76 51.29 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.86 37.11 14.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 1.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 139.32 30.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.736 ' NZ ' ' HB2' ' A' ' 125' ' ' ALA . 4.4 ptpp? -99.45 120.28 39.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.569 ' HB ' ' CE1' ' A' ' 86' ' ' PHE . 26.1 m -125.49 144.79 50.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -128.88 114.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.749 HG22 HG23 ' A' ' 121' ' ' ILE . 15.5 t -95.94 168.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.476 ' N ' HG12 ' A' ' 95' ' ' VAL . . . -142.54 66.66 18.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.575 ' CD ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.95 169.7 22.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.435 HG21 ' CZ ' ' B' ' 72' ' ' ARG . 4.2 mt -121.78 118.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 1.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -91.1 148.37 22.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.56 118.71 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.584 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -107.57 140.01 41.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -126.05 100.07 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.705 ' CE1' HG23 ' A' ' 109' ' ' VAL . 2.8 m-85 -72.52 146.02 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -149.4 -160.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 59.97 -139.39 48.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 1.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.92 31.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 1.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.02 60.71 0.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 1.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -155.98 139.51 15.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 1.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.705 HG23 ' CE1' ' A' ' 103' ' ' PHE . 19.7 t -65.92 120.62 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 31' ' ' ALA . 66.4 t -127.82 4.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.81 130.06 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 1.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.424 ' SD ' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -145.48 143.0 29.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 110.965 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.477 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 43.9 ttp180 -148.88 147.08 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 39' ' ' PRO . . . -116.02 178.76 4.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.879 HD21 ' OE2' ' B' ' 77' ' ' GLU . 1.0 OUTLIER -151.05 113.39 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 1.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 3.8 p90 -124.16 124.09 41.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.432 ' O ' HD11 ' A' ' 121' ' ' ILE . . . -94.84 -175.65 38.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 1.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.04 2.27 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 1.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HE2' ' CG ' ' B' ' 70' ' ' GLU . 0.0 OUTLIER -116.49 12.39 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -114.62 26.06 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.749 HG23 HG22 ' A' ' 95' ' ' VAL . 1.7 mp -123.5 137.94 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -129.82 99.79 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.85 156.54 20.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 125' ' ' ALA . . . -170.38 172.75 44.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 1.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.736 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.48 0.181 . . . . 1.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 m120 55.98 177.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -104.52 155.47 37.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 1.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.17 8.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.449 1.763 . . . . 1.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -44.7 68.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 1.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.748 ' O ' HG23 ' B' ' 10' ' ' VAL . 85.0 t60 -69.51 -46.01 67.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 1.0 109.599 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.802 ' HE2' ' HB1' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -60.04 -59.54 5.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.963 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.572 HG23 ' HB ' ' B' ' 71' ' ' VAL . 23.7 m -54.69 -42.33 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 6' ' ' HIS . 24.8 t -58.69 -42.32 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.668 HG11 ' CD1' ' B' ' 80' ' ' PHE . 7.0 t -64.27 -45.84 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 1.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -41.14 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.45 ' HA ' ' CD1' ' B' ' 29' ' ' LEU . 5.3 t80 -58.24 -53.38 58.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.14 -56.15 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.99 -44.56 15.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.11 92.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.879 HD12 HD11 ' B' ' 59' ' ' LEU . 27.0 tp -57.15 -47.55 80.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -62.78 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.06 -14.02 62.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 1.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' B' ' 59' ' ' LEU . . . 77.37 21.56 72.61 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 1.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.628 ' O ' HD12 ' B' ' 26' ' ' ILE . 1.9 m-20 -68.86 73.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.729 ' CD1' ' HB2' ' B' ' 56' ' ' ALA . 0.2 OUTLIER -59.08 -46.9 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 1.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.47 -63.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.89 -35.18 4.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.628 HD12 ' O ' ' B' ' 22' ' ' ASP . 38.1 mt -72.4 -43.13 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.562 ' HA ' ' CZ ' ' B' ' 30' ' ' PHE . 25.1 t -68.43 -15.41 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.83 -24.48 14.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 1.0 OUTLIER -51.48 -53.4 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' B' ' 27' ' ' VAL . 24.0 p90 -100.05 -174.0 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 1.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -50.77 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.797 ' O ' HG23 ' B' ' 48' ' ' THR . 1.5 m-20 -109.7 -11.79 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -122.52 15.35 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . . . -61.07 167.39 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.559 HG22 ' CB ' ' B' ' 46' ' ' SER . 73.2 p -122.94 129.57 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.737 HG23 ' CD1' ' B' ' 51' ' ' ILE . 38.7 t -105.04 148.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' B' ' 113' ' ' ARG . 2.6 mt-10 -132.98 61.97 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.49 ' CB ' ' HB3' ' B' ' 114' ' ' ALA . 38.1 t0 -141.15 129.58 12.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' B' ' 38' ' ' ASP . 18.2 Cg_endo -75.0 -143.7 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.973 -2.511 . . . . 1.0 111.006 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' B' ' 114' ' ' ALA . 6.6 t -116.34 150.87 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . . . 176.96 -66.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 1.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 41' ' ' GLY . 2.8 p 158.66 54.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 1.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.83 86.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' B' ' 35' ' ' THR . 0.2 OUTLIER -138.44 154.34 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 110.254 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.559 ' CB ' HG22 ' B' ' 35' ' ' THR . 60.2 p -143.5 132.76 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.83 147.68 16.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.797 HG23 ' O ' ' B' ' 32' ' ' ASP . 30.2 p -62.69 -12.91 26.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 1.0 110.421 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 1.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.0 62.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.737 ' CD1' HG23 ' B' ' 36' ' ' VAL . 4.1 mt -52.64 -52.32 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.532 ' HG3' HD12 ' B' ' 23' ' ' LEU . 50.3 ttm-85 -66.09 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 1.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 26.6 mt-10 -41.52 -30.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -75.33 -66.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -47.15 -45.82 22.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.729 ' HB2' ' CD1' ' B' ' 23' ' ' LEU . . . -65.93 -50.57 63.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' B' ' 53' ' ' GLU . 10.2 t30 -50.95 -27.54 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -55.62 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.879 HD11 HD12 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -53.66 -19.75 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -39.58 -29.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 1.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.548 HD23 ' HD2' ' B' ' 86' ' ' PHE . 15.7 tp -94.24 136.99 22.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 61' ' ' LEU . 18.1 Cg_endo -75.04 55.69 4.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 1.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.906 HD23 ' CE2' ' B' ' 86' ' ' PHE . 0.2 OUTLIER -78.51 -175.82 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 1.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.67 103.45 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 1.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 1.002 ' CG2' HG12 ' B' ' 84' ' ' VAL . 61.9 t -91.3 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.431 ' OE2' ' N ' ' B' ' 67' ' ' LEU . 12.1 tp10 -161.88 136.74 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' ' OE2' ' B' ' 66' ' ' GLU . 11.8 mt -71.22 159.58 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' B' ' 68' ' ' THR . 1.3 t 179.68 35.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 110.43 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.506 ' CB ' ' HB3' ' B' ' 81' ' ' ALA . 0.3 OUTLIER -144.49 -92.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.457 ' CG ' ' HE2' ' A' ' 119' ' ' LYS . 2.8 tm-20 -172.65 169.12 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.939 HG22 ' CB ' ' B' ' 80' ' ' PHE . 60.8 t -135.42 93.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.759 ' NE ' ' HB3' ' B' ' 79' ' ' ALA . 1.5 ptp180 -76.23 153.62 35.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 1.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.802 ' HB1' ' HE2' ' B' ' 7' ' ' MET . . . -148.87 135.19 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 1.094 HG11 ' CG2' ' A' ' 40' ' ' VAL . 1.8 t -152.64 -139.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.602 ' O ' ' C ' ' B' ' 76' ' ' ASN . . . -35.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 1.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . 0.602 ' C ' ' O ' ' B' ' 75' ' ' ALA . 4.5 t-20 23.96 52.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.879 ' OE2' HD21 ' A' ' 115' ' ' LEU . 6.6 pt-20 -152.32 154.63 36.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' B' ' 72' ' ' ARG . . . -145.3 131.51 19.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.759 ' HB3' ' NE ' ' B' ' 72' ' ' ARG . . . -131.38 120.85 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.939 ' CB ' HG22 ' B' ' 71' ' ' VAL . 28.0 p90 -127.59 158.97 36.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' B' ' 69' ' ' GLN . . . -117.48 128.78 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.426 ' HD2' HG13 ' B' ' 65' ' ' VAL . 35.4 p90 -135.15 173.47 11.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.493 ' O ' HG13 ' B' ' 65' ' ' VAL . 0.0 OUTLIER -110.23 158.9 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 1.002 HG12 ' CG2' ' B' ' 65' ' ' VAL . 2.2 m -143.61 113.84 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' B' ' 63' ' ' LEU . 15.0 m -98.07 123.8 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.906 ' CE2' HD23 ' B' ' 63' ' ' LEU . 21.5 m-85 -118.03 168.88 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.477 ' O ' HD11 ' B' ' 61' ' ' LEU . 24.7 tt0 -148.51 131.81 16.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 1.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.404 ' HB3' ' CB ' ' B' ' 91' ' ' ARG . 0.3 OUTLIER -126.4 78.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 1.0 110.973 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' B' ' 88' ' ' TYR . 12.5 pt20 38.58 78.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.93 -28.56 12.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 1.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' B' ' 87' ' ' GLU . 0.0 OUTLIER -88.01 160.05 18.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 1.0 110.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' B' ' 86' ' ' PHE . 6.5 tttt -156.15 146.36 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' B' ' 85' ' ' SER . 43.9 m -138.29 163.64 31.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 1.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.763 HG12 ' O ' ' B' ' 94' ' ' VAL . 1.9 t -145.34 85.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.932 HG12 ' HD3' ' B' ' 97' ' ' PRO . 39.7 t -87.17 144.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 1.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 82' ' ' PHE . . . -123.38 71.6 46.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' PRO . . . . . 0.932 ' HD3' HG12 ' B' ' 95' ' ' VAL . 18.4 Cg_endo -75.02 164.2 33.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 1.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' B' ' 81' ' ' ALA . 4.8 mt -123.3 114.17 40.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.617 ' CB ' ' CZ ' ' B' ' 80' ' ' PHE . 0.8 OUTLIER -81.92 150.77 27.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 1.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -149.27 95.19 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.636 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' B' ' 112' ' ' MET . 7.4 m-30 -91.22 153.68 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.461 ' CZ ' ' HD2' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -126.24 112.98 16.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.699 ' CD2' HG22 ' B' ' 109' ' ' VAL . 6.0 m-85 -85.78 152.32 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' B' ' 103' ' ' PHE . 6.4 m-20 156.32 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 1.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' B' ' 110' ' ' VAL . . . 35.83 -126.97 0.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 1.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.78 16.34 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.76 . . . . 1.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.03 42.02 0.57 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 1.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.77 -175.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 1.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.699 HG22 ' CD2' ' B' ' 103' ' ' PHE . 2.2 t -71.29 118.41 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.573 ' O ' HG12 ' B' ' 110' ' ' VAL . 38.9 t -128.32 5.41 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 1.2 p -162.11 150.86 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.56 ' HB2' ' CD1' ' B' ' 101' ' ' PHE . 3.3 ptp -170.04 146.69 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 1.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.469 ' CB ' ' HB2' ' B' ' 37' ' ' GLU . 0.8 OUTLIER -129.3 166.74 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 1.0 110.255 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.491 ' O ' ' CG2' ' B' ' 40' ' ' VAL . . . -132.14 104.23 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.538 HD21 ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -79.45 92.72 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 1.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' B' ' 116' ' ' PHE . 0.5 OUTLIER -112.75 79.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 1.0 110.989 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.51 ' CA ' HG22 ' A' ' 74' ' ' VAL . . . -68.12 -173.97 7.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.484 ' HA ' ' CD1' ' B' ' 121' ' ' ILE . 0.0 OUTLIER -114.94 58.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 1.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' B' ' 120' ' ' ASN . 3.3 ttmm -157.24 33.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.632 ' H ' HD12 ' B' ' 121' ' ' ILE . 4.0 m-80 -158.91 29.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.866 HG23 HG22 ' B' ' 95' ' ' VAL . 4.2 mp -109.96 137.09 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' HIS . . . . . 0.49 ' CD2' ' N ' ' B' ' 122' ' ' HIS . 1.2 m-70 -124.58 91.17 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.26 152.21 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.78 179.61 48.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.46 1.1 . . . . 1.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 1.0 109.298 179.992 . . . . . . . . 0 0 . 1 stop_ save_